[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[(4-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(4-methoxyanilino)-2-oxo-1-phenyl-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-keto-2-(p-anisidino)-1-phenyl-ethyl] ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C22H26N2O6S/c1-29-19-10-8-18(9-11-19)23-21(25)20(16-6-4-3-5-7-16)30-22(26)17-12-14-24(15-13-17)31(2,27)28/h3-11,17,20H,12-15H2,1-2H3,(H,23,25)