-ISIS-  08091621332D

 14 14  0  0  0  0  0  0  0  0999 V2000
    1.5167    0.8000    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   -1.5208   -0.9083    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.9958   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375    1.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042   -0.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208   -0.8708    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.0625   -1.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167    0.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  2  0  0  0  0
  8  2  1  0  0  0  0
  9  2  2  0  0  0  0
 10 13  2  0  0  0  0
 11  1  1  0  0  0  0
 12  5  2  0  0  0  0
 13 12  1  0  0  0  0
 14 10  1  0  0  0  0
  3 10  1  0  0  0  0
M  CHG  2   2   1   8  -1
M  END
>  <ID> (BBL000012)
BBL000012

>  <Rotatable_Bonds> (BBL000012)
1

>  <logP> (BBL000012)
1.01

>  <PSA> (BBL000012)
114.36

>  <H_Donors> (BBL000012)
2

>  <H_Acceptors> (BBL000012)
4

>  <Number_of_rings> (BBL000012)
1

>  <NAME> (BBL000012)
4-methyl-3-nitrobenzenesulfonamide

>  <Mol_Weight> (BBL000012)
216.22

>  <Mol_Formula> (BBL000012)
C7H8N2O4S

>  <Smiles> (BBL000012)
[O-][N+](=O)c1cc(ccc1C)S(=O)(=O)N

>  <CAS_Number> (BBL000012)
6949-23-1

>  <Alternative_identifier> (BBL000012)
MFCD00460611

$$$$