-ISIS-  08091621332D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.9458    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   -2.7125    1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333   -1.1292    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -1.5000   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208   -1.8583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4875    2.7208    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5625   -2.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2708   -0.3542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7208    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583   -2.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958    2.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    1.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0583    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333    0.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667    2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625    3.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542    2.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958   -3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667    2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0542    2.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  7  2  0  0  0  0
 10  3  1  0  0  0  0
 11  2  1  0  0  0  0
 12  6  2  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15 11  2  0  0  0  0
 16  5  2  0  0  0  0
 17  8  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20 21  1  0  0  0  0
 21 19  2  0  0  0  0
 22 18  1  0  0  0  0
 23  7  1  0  0  0  0
 24  8  1  0  0  0  0
 25 20  1  0  0  0  0
 26 12  1  0  0  0  0
 27 25  1  0  0  0  0
 28 27  1  0  0  0  0
 10 15  1  0  0  0  0
 20 22  2  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <ID> (BBL000888)
BBL000888

>  <Rotatable_Bonds> (BBL000888)
3

>  <logP> (BBL000888)
2.005

>  <PSA> (BBL000888)
118.12

>  <H_Donors> (BBL000888)
0

>  <H_Acceptors> (BBL000888)
4

>  <Number_of_rings> (BBL000888)
3

>  <NAME> (BBL000888)
2-[(3,5-dimethyl-1H-pyrazol-1-yl)carbonyl]-N-(4-ethoxyphenyl)-N-methylthiophene-3-sulfonamide

>  <Mol_Weight> (BBL000888)
419.53

>  <Mol_Formula> (BBL000888)
C19H21N3O4S2

>  <Smiles> (BBL000888)
CCOc1ccc(cc1)N(S(=O)(=O)c1ccsc1C(=O)n1nc(cc1C)C)C

>  <Alternative_identifier> (BBL000888)
MFCD16639683

$$$$