[4-(4-chlorophenyl)carbonylphenyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [4-(4-chlorophenyl)carbonylphenyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [4-(4-chlorobenzoyl)phenyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [4-[(4-chlorophenyl)-oxomethyl]phenyl] ester IUPAC Name: [4-(4-chlorobenzoyl)phenyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [4-(4-chlorobenzoyl)phenyl] ester Formula: C20H20ClNO5S MolecularWeight: 421.8945

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H20ClNO5S/c1-28(25,26)22-12-10-16(11-13-22)20(24)27-18-8-4-15(5-9-18)19(23)14-2-6-17(21)7-3-14/h2-9,16H,10-13H2,1H3