
 SCHEMBL1310789

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M  END

>  <Chemical Name>
SCHEMBL1310789

>  <PubChem CID>
58509377

>  <Formula>
C23H27N5O3S

>  <Molecular Weight>
453.561000

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

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CCCN(CC1)C(=O)C(CCN2C=CC=C2C#N)NS(=O)(=O)C3=CC=CC4=C3C=CN4

>  <Isomeric SMILES>
C1CCCN(CC1)C(=O)C(CCN2C=CC=C2C#N)NS(=O)(=O)C3=CC=CC4=C3C=CN4

>  <InChI Std. ID>
InChI=1S/C23H27N5O3S/c24-17-18-7-6-15-27(18)16-11-21(23(29)28-13-3-1-2-4-14-28)26-32(30,31)22-9-5-8-20-19(22)10-12-25-20/h5-10,12,15,21,25-26H,1-4,11,13-14,16H2

>  <InChI Key>
FSSYBJXSLVWVER-UHFFFAOYSA-N

