
 SCHEMBL1313835

 56 59  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL1313835

>  <PubChem CID>
58509356

>  <Formula>
C22H25N5O3S

>  <Molecular Weight>
439.534000

>  <IUPAC Name>
N-[4-(2-cyanopyrrol-1-yl)-1-oxo-1-piperidin-1-ylbutan-2-yl]-1H-indole-4-sulfonamide

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CCN(CC1)C(=O)C(CCN2C=CC=C2C#N)NS(=O)(=O)C3=CC=CC4=C3C=CN4

>  <Isomeric SMILES>
C1CCN(CC1)C(=O)C(CCN2C=CC=C2C#N)NS(=O)(=O)C3=CC=CC4=C3C=CN4

>  <InChI Std. ID>
InChI=1S/C22H25N5O3S/c23-16-17-6-5-14-26(17)15-10-20(22(28)27-12-2-1-3-13-27)25-31(29,30)21-8-4-7-19-18(21)9-11-24-19/h4-9,11,14,20,24-25H,1-3,10,12-13,15H2

>  <InChI Key>
PMRHYYXYTRTUHI-UHFFFAOYSA-N

