-ISIS-  08251613552D

 26 27  0  0  0  0  0  0  0  0999 V2000
   -2.5875   -0.7625    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    3.4625   -2.2625    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.5875   -1.7583    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -1.7250   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875   -1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5875    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5917   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875   -0.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250   -2.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3208   -1.7583    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0125   -2.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625   -3.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500   -0.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4625    0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4750    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    3.2500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.4625   -2.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125   -0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3250   -1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6 10  1  0  0  0  0
  7  1  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10 14  2  0  0  0  0
 11  2  1  0  0  0  0
 12  5  1  0  0  0  0
 13  2  2  0  0  0  0
 14 12  1  0  0  0  0
 15  5  2  0  0  0  0
 16  7  1  0  0  0  0
 17  7  2  0  0  0  0
 18 20  2  0  0  0  0
 19 16  2  0  0  0  0
 20 17  1  0  0  0  0
 21 18  1  0  0  0  0
 22  3  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 14  1  0  0  0  0
 26 22  1  0  0  0  0
 18 19  1  0  0  0  0
  6 23  2  0  0  0  0
M  CHG  2   2   1  11  -1
M  END
>  <ID> (STK318085)
STK318085

>  <Rotatable_Bonds> (STK318085)
3

>  <logP> (STK318085)
4.638

>  <PSA> (STK318085)
120.68

>  <H_Donors> (STK318085)
1

>  <H_Acceptors> (STK318085)
5

>  <Number_of_rings> (STK318085)
2

>  <NAME> (STK318085)
N~2~-[(4-bromophenyl)sulfonyl]-N~2~-ethyl-N-(3-nitrophenyl)glycinamide

>  <Mol_Weight> (STK318085)
442.29

>  <Mol_Formula> (STK318085)
C16H16BrN3O5S

>  <Smiles> (STK318085)
CCN(S(=O)(=O)c1ccc(cc1)Br)CC(=O)Nc1cccc(c1)[N+](=O)[O-]

$$$$