
 CHEMBL384126

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    1.2264   -7.2579    4.8068 Cl  0  0  0  0  0
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    3.3057   -4.0357    4.7337 S   0  0  0  0  0
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    9.0190   -4.8501    4.5498 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL384126

>  <PubChem CID>
16090774

>  <Formula>
C18H17ClN4O3S2

>  <Molecular Weight>
436.929000

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

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NS(=O)(=O)C3=CC=CC4=NSN=C43

>  <Isomeric SMILES>
C1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NS(=O)(=O)C3=CC=CC4=NSN=C43

>  <InChI Std. ID>
InChI=1S/C18H17ClN4O3S2/c19-13-8-7-12(18(24)23-9-2-1-3-10-23)11-15(13)22-28(25,26)16-6-4-5-14-17(16)21-27-20-14/h4-8,11,22H,1-3,9-10H2

>  <InChI Key>
CCDTWPNSOQZORV-UHFFFAOYSA-N

