
 SCHEMBL1312386

 59 62  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL1312386

>  <PubChem CID>
58509355

>  <Formula>
C23H24F3N5O3S

>  <Molecular Weight>
507.532000

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

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1CN(CCC1C(F)(F)F)C(=O)C(CCN2C=CC=C2C#N)NS(=O)(=O)C3=CC=CC4=C3C=CN4

>  <Isomeric SMILES>
C1CN(CCC1C(F)(F)F)C(=O)C(CCN2C=CC=C2C#N)NS(=O)(=O)C3=CC=CC4=C3C=CN4

>  <InChI Std. ID>
InChI=1S/C23H24F3N5O3S/c24-23(25,26)16-7-12-31(13-8-16)22(32)20(9-14-30-11-2-3-17(30)15-27)29-35(33,34)21-5-1-4-19-18(21)6-10-28-19/h1-6,10-11,16,20,28-29H,7-9,12-14H2

>  <InChI Key>
UMWPXFOMXPTAOX-UHFFFAOYSA-N

