[2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: [2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate Openeye Name: [2-(3-fluoro-4-methyl-anilino)-2-oxo-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxylic acid [2-(3-fluoro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylnipecotic acid [2-(3-fluoro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C21H22F2N2O5S MolecularWeight: 452.471586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F)F

InChI

InChI=1S/C21H22F2N2O5S/c1-14-4-7-17(11-19(14)23)24-20(26)13-30-21(27)15-3-2-10-25(12-15)31(28,29)18-8-5-16(22)6-9-18/h4-9,11,15H,2-3,10,12-13H2,1H3,(H,24,26)