1-(2-cyanophenyl)sulfonyl-N-(4-methylphenyl)-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-(2-cyanophenyl)sulfonyl-N-(4-methylphenyl)-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-1-(2-cyanophenyl)sulfonyl-N-(p-tolyl)piperidine-4-carboxamide CAS Name: 1-(2-cyanophenyl)sulfonyl-N-(4-methylphenyl)-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-(2-cyanophenyl)sulfonyl-N-(4-methylphenyl)piperidine-4-carboxamide Traditional Name: N-benzyl-1-(2-cyanophenyl)sulfonyl-N-(p-tolyl)isonipecotamide Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC2=CC=CC=C2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CC1=CC=C(C=C1)N(CC2=CC=CC=C2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C27H27N3O3S/c1-21-11-13-25(14-12-21)30(20-22-7-3-2-4-8-22)27(31)23-15-17-29(18-16-23)34(32,33)26-10-6-5-9-24(26)19-28/h2-14,23H,15-18,20H2,1H3