[2-[(5-chloranyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[(5-chloranyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(5-chloro-2-methoxy-anilino)-2-oxo-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxylic acid [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylisonipecotic acid [2-(5-chloro-2-methoxy-anilino)-2-keto-ethyl] ester Formula: C21H22ClFN2O6S MolecularWeight: 484.925583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H22ClFN2O6S/c1-30-19-7-2-15(22)12-18(19)24-20(26)13-31-21(27)14-8-10-25(11-9-14)32(28,29)17-5-3-16(23)4-6-17/h2-7,12,14H,8-11,13H2,1H3,(H,24,26)