(3-methylphenyl) 1-(2-cyanophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (3-methylphenyl) 1-(2-cyanophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: m-tolyl 1-(2-cyanophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-cyanophenyl)sulfonyl-4-piperidinecarboxylic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) 1-(2-cyanophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-cyanophenyl)sulfonylisonipecotic acid m-tolyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC(=CC=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C20H20N2O4S/c1-15-5-4-7-18(13-15)26-20(23)16-9-11-22(12-10-16)27(24,25)19-8-3-2-6-17(19)14-21/h2-8,13,16H,9-12H2,1H3