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

Systemtic Name: (3,4-dimethylphenyl) 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (3,4-dimethylphenyl) 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-chlorophenyl)sulfonyl-4-piperidinecarboxylic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-chlorophenyl)sulfonylisonipecotic acid (3,4-dimethylphenyl) ester Formula: C20H22ClNO4S MolecularWeight: 407.91098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C20H22ClNO4S/c1-14-3-6-18(13-15(14)2)26-20(23)16-9-11-22(12-10-16)27(24,25)19-7-4-17(21)5-8-19/h3-8,13,16H,9-12H2,1-2H3