Benzenesulfonamide, N-(1,1-dimethylethyl)-3-[[5′′-[(ethylsulfonyl)amino]dispi...
C28H37N3O5S2
2914879-10-8 Copyright (C) 2024 ACS
 38 42  0  0  0  0  0  0  0  0999 V2000
    9.7178    6.9671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7178    8.5072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4582    7.7840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9823    9.2487    0.0000 S   0  0  0  0  0  6  0  0  0  0  0  0
    1.5064   10.7134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4468    9.7245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5176    8.7728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.0335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0525    6.9671    0.0000 S   0  0  0  0  0  6  0  0  0  0  0  0
   16.3861    7.7372    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8225    5.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2825    8.3008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7199    6.9671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4899    8.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0536    6.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9499    5.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7167    4.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9467    5.6791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2232    4.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1852    4.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6220    3.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9772    6.8235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4405    5.9993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3841    6.1971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5587    2.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9956    1.6926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5013    8.2882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9644    7.4638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4639    1.5317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9950    8.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2181    0.6265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0514    6.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3852    6.9671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0514    4.6571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7189    6.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3852    3.8871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7189    4.6571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 24  1  0  0  0  0
  1 33  1  0  0  0  0
  3  4  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  2  0  0  0  0
  9 36  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  2  0  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 22 24  1  0  0  0  0
 22 27  2  0  0  0  0
 23 28  1  0  0  0  0
 25 29  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
 31 32  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 34 36  1  0  0  0  0
 35 37  2  0  0  0  0
 36 38  2  0  0  0  0
 37 38  1  0  0  0  0
M  END
> <cas.rn>
2914879-10-8

> <cas.index.name>
Benzenesulfonamide, N-(1,1-dimethylethyl)-3-[[5′′-[(ethylsulfonyl)amino]dispiro[cyclopropane-1,1′-cyclohexane-4′,3′′-[3H]indol]-1′′(2′′H)-yl]carbonyl]-

> <molecular.formula>
C28H37N3O5S2

> <molecular.weight>
559.74

> <boiling.point.predicted>
738.734±70.00 °C    Press: 760.00 Torr

> <density.predicted>
1.365±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
9.286±0.20    Most Acidic Temp: 25 °C

$$$$
