
 SCHEMBL1036738

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M  END

>  <Chemical Name>
SCHEMBL1036738

>  <PubChem CID>
44252468

>  <Formula>
C23H27N5O3S

>  <Molecular Weight>
453.561000

>  <IUPAC Name>
N-[4-(2-cyanopyrrol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-1H-indole-5-sulfonamide

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1CCN(CC1)C(=O)C(CCN2C=CC=C2C#N)NS(=O)(=O)C3=CC4=C(C=C3)NC=C4

>  <Isomeric SMILES>
CC1CCN(CC1)C(=O)C(CCN2C=CC=C2C#N)NS(=O)(=O)C3=CC4=C(C=C3)NC=C4

>  <InChI Std. ID>
InChI=1S/C23H27N5O3S/c1-17-7-12-28(13-8-17)23(29)22(9-14-27-11-2-3-19(27)16-24)26-32(30,31)20-4-5-21-18(15-20)6-10-25-21/h2-6,10-11,15,17,22,25-26H,7-9,12-14H2,1H3

>  <InChI Key>
CGOUBPVACQVQHZ-UHFFFAOYSA-N

