(2,6-dimethylphenyl) 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: (2,6-dimethylphenyl) 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate Openeye Name: (2,6-dimethylphenyl) 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate CAS Name: 1-(4-chlorophenyl)sulfonyl-3-piperidinecarboxylic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-(4-chlorophenyl)sulfonylnipecotic acid (2,6-dimethylphenyl) ester Formula: C20H22ClNO4S MolecularWeight: 407.91098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

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