3-[[4-[4-(5-fluoranyl-2-methyl-phenyl)sulfonylpiperazin-1-yl]piperidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-[4-(5-fluoranyl-2-methyl-phenyl)sulfonylpiperazin-1-yl]piperidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[4-(5-fluoro-2-methyl-phenyl)sulfonylpiperazin-1-yl]-1-piperidyl]methyl]benzonitrile CAS Name: 3-[[4-[4-(5-fluoro-2-methylphenyl)sulfonyl-1-piperazinyl]-1-piperidinyl]methyl]benzonitrile IUPAC Name: 3-[[4-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]piperidin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[4-(5-fluoro-2-methyl-phenyl)sulfonylpiperazino]piperidino]methyl]benzonitrile Formula: C24H29FN4O2S MolecularWeight: 456.576063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)S(=O)(=O)N2CCN(CC2)C3CCN(CC3)CC4=CC=CC(=C4)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)F)S(=O)(=O)N2CCN(CC2)C3CCN(CC3)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C24H29FN4O2S/c1-19-5-6-22(25)16-24(19)32(30,31)29-13-11-28(12-14-29)23-7-9-27(10-8-23)18-21-4-2-3-20(15-21)17-26/h2-6,15-16,23H,7-14,18H2,1H3