-ISIS-  08091621332D

 27 29  0  0  0  0  0  0  0  0999 V2000
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   -0.3250   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -2.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125    2.5458    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.7542   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000   -0.5417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3833   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    1.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    2.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0292    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875    3.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  1  0  0  0  0
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  9  7  1  0  0  0  0
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 22 21  2  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <ID> (BBL000882)
BBL000882

>  <Rotatable_Bonds> (BBL000882)
2

>  <logP> (BBL000882)
3.301

>  <PSA> (BBL000882)
108.89

>  <H_Donors> (BBL000882)
0

>  <H_Acceptors> (BBL000882)
3

>  <Number_of_rings> (BBL000882)
3

>  <NAME> (BBL000882)
N-(3,5-dimethylphenyl)-2-[(3,5-dimethyl-1H-pyrazol-1-yl)carbonyl]-N-methylthiophene-3-sulfonamide

>  <Mol_Weight> (BBL000882)
403.53

>  <Mol_Formula> (BBL000882)
C19H21N3O3S2

>  <Smiles> (BBL000882)
Cc1cc(C)cc(c1)N(S(=O)(=O)c1ccsc1C(=O)n1nc(cc1C)C)C

>  <Alternative_identifier> (BBL000882)
MFCD16639681

$$$$