-ISIS-  08091621332D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.1375   -0.6250    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    0.2625   -1.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667    0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750    0.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -1.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708   -2.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8333   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417    1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5708    0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3458    1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2167   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0792    2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0833   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2167    0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0833    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  2  0  0  0  0
  7  4  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  3  2  0  0  0  0
 11  3  1  0  0  0  0
 12 11  2  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15  9  1  0  0  0  0
 16  9  2  0  0  0  0
 17 14  1  0  0  0  0
 18 16  1  0  0  0  0
 19 15  2  0  0  0  0
 20 18  2  0  0  0  0
 13 14  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <ID> (BBL000832)
BBL000832

>  <Rotatable_Bonds> (BBL000832)
2

>  <logP> (BBL000832)
2.911

>  <PSA> (BBL000832)
71.62

>  <H_Donors> (BBL000832)
1

>  <H_Acceptors> (BBL000832)
3

>  <Number_of_rings> (BBL000832)
2

>  <NAME> (BBL000832)
4-methyl-N-(2-oxo-2-phenylethyl)benzenesulfonamide

>  <Mol_Weight> (BBL000832)
289.36

>  <Mol_Formula> (BBL000832)
C15H15NO3S

>  <Smiles> (BBL000832)
Cc1ccc(cc1)S(=O)(=O)NCC(=O)c1ccccc1

>  <Alternative_identifier> (BBL000832)
MFCD00134348

$$$$