[2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 1-(2-methoxyphenyl)sulfonyl-4-phenyl-piperidine-4-carboxylate

Systemtic Name: [2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 1-(2-methoxyphenyl)sulfonyl-4-phenyl-piperidine-4-carboxylate Openeye Name: [2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl] 1-(2-methoxyphenyl)sulfonyl-4-phenyl-piperidine-4-carboxylate CAS Name: 1-(2-methoxyphenyl)sulfonyl-4-phenyl-4-piperidinecarboxylic acid [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 1-(2-methoxyphenyl)sulfonyl-4-phenylpiperidine-4-carboxylate Traditional Name: 1-(2-methoxyphenyl)sulfonyl-4-phenyl-isonipecotic acid [2-[(4-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C28H29ClN2O6S MolecularWeight: 557.05766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1S(=O)(=O)N2CCC(CC2)(C3=CC=CC=C3)C(=O)OCC(=O)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC=CC=C1S(=O)(=O)N2CCC(CC2)(C3=CC=CC=C3)C(=O)OCC(=O)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H29ClN2O6S/c1-36-24-9-5-6-10-25(24)38(34,35)31-17-15-28(16-18-31,22-7-3-2-4-8-22)27(33)37-20-26(32)30-19-21-11-13-23(29)14-12-21/h2-14H,15-20H2,1H3,(H,30,32)