-ISIS-  08091621332D

 26 28  0  0  0  0  0  0  0  0999 V2000
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   -1.9125    1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7000   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208   -1.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    2.7167    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.2375   -2.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750   -0.3542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208    1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958    2.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    1.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2583    0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    0.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8917    3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542    1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667    2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625    3.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958   -3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542    2.1667    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
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 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
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 26 22  1  0  0  0  0
 10 15  1  0  0  0  0
 22 21  2  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <ID> (BBL000881)
BBL000881

>  <Rotatable_Bonds> (BBL000881)
2

>  <logP> (BBL000881)
2.841

>  <PSA> (BBL000881)
108.89

>  <H_Donors> (BBL000881)
0

>  <H_Acceptors> (BBL000881)
3

>  <Number_of_rings> (BBL000881)
3

>  <NAME> (BBL000881)
2-[(3,5-dimethyl-1H-pyrazol-1-yl)carbonyl]-N-methyl-N-(4-methylphenyl)thiophene-3-sulfonamide

>  <Mol_Weight> (BBL000881)
389.50

>  <Mol_Formula> (BBL000881)
C18H19N3O3S2

>  <Smiles> (BBL000881)
Cc1ccc(cc1)N(S(=O)(=O)c1ccsc1C(=O)n1nc(cc1C)C)C

>  <Alternative_identifier> (BBL000881)
MFCD11996595

$$$$