
 CHEMBL215111

 55 59  0  0  0  0  0  0  0  0999 V2000
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    2.1169   -1.3885    1.7092 S   0  0  0  0  0
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    3.8664    1.6383    5.1153 S   0  0  0  0  0
    3.0439    0.7487    3.9854 N   0  0  0  0  0
    3.8120   -0.3049    3.6651 C   0  0  0  0  0
   -4.3850   -1.4259   -2.2992 H   0  0  0  0  0
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  1 34  1  0  0  0
  1 35  1  0  0  0
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  2 36  1  0  0  0
  2 37  1  0  0  0
  3  4  1  0  0  0
  3 38  1  0  0  0
  3 39  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  5 40  1  0  0  0
  5 41  1  0  0  0
  6 42  1  0  0  0
  6 43  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL215111

>  <PubChem CID>
16090788

>  <Formula>
C24H22N4O3S2

>  <Molecular Weight>
478.585000

>  <IUPAC Name>
N-[5-phenyl-2-(piperidine-1-carbonyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide

>  <XlogP>
4.800

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CCN(CC1)C(=O)C2=C(C=C(C=C2)C3=CC=CC=C3)NS(=O)(=O)C4=CC=CC5=NSN=C54

>  <Isomeric SMILES>
C1CCN(CC1)C(=O)C2=C(C=C(C=C2)C3=CC=CC=C3)NS(=O)(=O)C4=CC=CC5=NSN=C54

>  <InChI Std. ID>
InChI=1S/C24H22N4O3S2/c29-24(28-14-5-2-6-15-28)19-13-12-18(17-8-3-1-4-9-17)16-21(19)27-33(30,31)22-11-7-10-20-23(22)26-32-25-20/h1,3-4,7-13,16,27H,2,5-6,14-15H2

>  <InChI Key>
FEYADASVMBHYMC-UHFFFAOYSA-N

