
 SCHEMBL2004331

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

>  <Chemical Name>
SCHEMBL2004331

>  <PubChem CID>
42623461

>  <Formula>
C24H27FN4O2S

>  <Molecular Weight>
454.564000

>  <IUPAC Name>
5-(4-fluorophenyl)-N-[3-methyl-4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-sulfonamide

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1CN(CCN1)CC2=C(C=C(C=C2)NS(=O)(=O)C3=CN=CC(=C3)C4=CC=C(C=C4)F)C

>  <Isomeric SMILES>
C[C@H]1CN(CCN1)CC2=C(C=C(C=C2)NS(=O)(=O)C3=CN=CC(=C3)C4=CC=C(C=C4)F)C

>  <InChI Std. ID>
InChI=1S/C24H27FN4O2S/c1-17-11-23(8-5-20(17)16-29-10-9-27-18(2)15-29)28-32(30,31)24-12-21(13-26-14-24)19-3-6-22(25)7-4-19/h3-8,11-14,18,27-28H,9-10,15-16H2,1-2H3/t18-/m0/s1

>  <InChI Key>
CWYHDSYRMLUONB-SFHVURJKSA-N

