
 SCHEMBL2000727

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

>  <Chemical Name>
SCHEMBL2000727

>  <PubChem CID>
42623463

>  <Formula>
C24H24F4N4O2S

>  <Molecular Weight>
508.536000

>  <IUPAC Name>
6-(4-fluorophenyl)-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]-3-(trifluoromethyl)phenyl]pyridine-3-sulfonamide

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
10

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

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

>  <InChI Std. ID>
InChI=1S/C24H24F4N4O2S/c1-16-14-32(11-10-29-16)15-18-4-7-20(12-22(18)24(26,27)28)31-35(33,34)21-8-9-23(30-13-21)17-2-5-19(25)6-3-17/h2-9,12-13,16,29,31H,10-11,14-15H2,1H3/t16-/m0/s1

>  <InChI Key>
IHSRDRQVXGIMBU-INIZCTEOSA-N

