-ISIS-  08091621332D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.0208    0.6375    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    0.0042   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -0.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -2.6042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    0.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125    1.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -1.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -3.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    3.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    3.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  1  1  0  0  0  0
 11  7  2  0  0  0  0
 12  5  2  0  0  0  0
 13  5  1  0  0  0  0
 14 10  2  0  0  0  0
 15 10  1  0  0  0  0
 16 15  2  0  0  0  0
 17 14  1  0  0  0  0
 18 16  1  0  0  0  0
 18 17  2  0  0  0  0
  6 11  1  0  0  0  0
M  END
>  <ID> (BBL000903)
BBL000903

>  <Rotatable_Bonds> (BBL000903)
2

>  <logP> (BBL000903)
3.054

>  <PSA> (BBL000903)
120.09

>  <H_Donors> (BBL000903)
2

>  <H_Acceptors> (BBL000903)
4

>  <Number_of_rings> (BBL000903)
2

>  <NAME> (BBL000903)
3-[(phenylsulfonyl)amino]thiophene-2-carboxylic acid

>  <Mol_Weight> (BBL000903)
283.33

>  <Mol_Formula> (BBL000903)
C11H9NO4S2

>  <Smiles> (BBL000903)
OC(=O)c1sccc1NS(=O)(=O)c1ccccc1

>  <Alternative_identifier> (BBL000903)
MFCD09050564

$$$$