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

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

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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(=CC=C3)Cl)C

Isomeric SMILES

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

InChI

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