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

Systemtic Name: (3-methylphenyl)methyl 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: m-tolylmethyl 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-cyanophenyl)sulfonyl-4-piperidinecarboxylic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-cyanophenyl)sulfonylisonipecotic acid (3-methylbenzyl) ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC(=CC=C1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H22N2O4S/c1-16-3-2-4-18(13-16)15-27-21(24)19-9-11-23(12-10-19)28(25,26)20-7-5-17(14-22)6-8-20/h2-8,13,19H,9-12,15H2,1H3