
 SCHEMBL1311315

 62 65  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL1311315

>  <PubChem CID>
58508974

>  <Formula>
C24H29N5O3S

>  <Molecular Weight>
467.588000

>  <IUPAC Name>
N-[4-(2-cyanopyrrol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-1-methylindole-4-sulfonamide

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1CCN(CC1)C(=O)C(CCN2C=CC=C2C#N)NS(=O)(=O)C3=CC=CC4=C3C=CN4C

>  <Isomeric SMILES>
CC1CCN(CC1)C(=O)C(CCN2C=CC=C2C#N)NS(=O)(=O)C3=CC=CC4=C3C=CN4C

>  <InChI Std. ID>
InChI=1S/C24H29N5O3S/c1-18-8-14-29(15-9-18)24(30)21(11-16-28-12-4-5-19(28)17-25)26-33(31,32)23-7-3-6-22-20(23)10-13-27(22)2/h3-7,10,12-13,18,21,26H,8-9,11,14-16H2,1-2H3

>  <InChI Key>
GJBZOFJQFQXZEW-UHFFFAOYSA-N

