-ISIS-  08091621332D

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.8250    0.2875    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    1.3125   -0.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917   -0.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3375    1.1583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458    2.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917    2.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083   -2.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958   -2.3042    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  1  2  0  0  0  0
  5  1  2  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  3  2  0  0  0  0
  9  3  1  0  0  0  0
 10 14  1  0  0  0  0
 11  7  2  0  0  0  0
 12 10  1  0  0  0  0
 13  8  1  0  0  0  0
 14  9  2  0  0  0  0
 15 11  1  0  0  0  0
 16 17  1  0  0  0  0
 17  6  2  0  0  0  0
 18 16  2  0  0  0  0
 19 15  1  0  0  0  0
 10 13  2  0  0  0  0
 18 11  1  0  0  0  0
M  END
>  <ID> (BBL000655)
BBL000655

>  <Rotatable_Bonds> (BBL000655)
1

>  <logP> (BBL000655)
2.148

>  <PSA> (BBL000655)
89.8

>  <H_Donors> (BBL000655)
3

>  <H_Acceptors> (BBL000655)
3

>  <Number_of_rings> (BBL000655)
2

>  <NAME> (BBL000655)
4-amino-N-(3-methoxyphenyl)benzenesulfonamide

>  <Mol_Weight> (BBL000655)
278.33

>  <Mol_Formula> (BBL000655)
C13H14N2O3S

>  <Smiles> (BBL000655)
COc1cccc(c1)NS(=O)(=O)c1ccc(cc1)N

>  <CAS_Number> (BBL000655)
19837-79-7

>  <Alternative_identifier> (BBL000655)
MFCD03002130

$$$$