(4-cyanophenyl) 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (4-cyanophenyl) 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (4-cyanophenyl) 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-4-piperidinecarboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-dimethylphenyl)sulfonylisonipecotic acid (4-cyanophenyl) ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C21H22N2O4S/c1-15-3-8-20(13-16(15)2)28(25,26)23-11-9-18(10-12-23)21(24)27-19-6-4-17(14-22)5-7-19/h3-8,13,18H,9-12H2,1-2H3