1-(4-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperidine-4-carbonitrile

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperidine-4-carbonitrile Openeye Name: 1-(p-tolylsulfonyl)-4-[3-(trifluoromethyl)phenyl]piperidine-4-carbonitrile CAS Name: 1-(4-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]-4-piperidinecarbonitrile IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperidine-4-carbonitrile Traditional Name: 1-tosyl-4-[3-(trifluoromethyl)phenyl]isonipecotonitrile Formula: C20H19F3N2O2S MolecularWeight: 408.43727

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)(C#N)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)(C#N)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H19F3N2O2S/c1-15-5-7-18(8-6-15)28(26,27)25-11-9-19(14-24,10-12-25)16-3-2-4-17(13-16)20(21,22)23/h2-8,13H,9-12H2,1H3