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

Systemtic Name: [2-[[2-[(4-fluorophenyl)carbamoyl]phenyl]amino]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-[2-[(4-fluoroanilino)-oxomethyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-keto-ethyl] ester Formula: C22H24FN3O6S MolecularWeight: 477.505863

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C22H24FN3O6S/c1-33(30,31)26-12-10-15(11-13-26)22(29)32-14-20(27)25-19-5-3-2-4-18(19)21(28)24-17-8-6-16(23)7-9-17/h2-9,15H,10-14H2,1H3,(H,24,28)(H,25,27)