[2-[(2-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)NC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)NC3=C(C=C(C=C3)F)Cl

InChI

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