(3,4-dichlorophenyl)methyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (3,4-dichlorophenyl)methyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (3,4-dichlorophenyl)methyl 1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid (3,4-dichlorophenyl)methyl ester IUPAC Name: (3,4-dichlorophenyl)methyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-tosylisonipecotic acid (3,4-dichlorobenzyl) ester Formula: C20H21Cl2NO4S MolecularWeight: 442.35604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H21Cl2NO4S/c1-14-2-5-17(6-3-14)28(25,26)23-10-8-16(9-11-23)20(24)27-13-15-4-7-18(21)19(22)12-15/h2-7,12,16H,8-11,13H2,1H3