[2-[(2-fluorophenyl)carbamoylamino]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[(2-fluorophenyl)carbamoylamino]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-[(2-fluorophenyl)carbamoylamino]-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-[[(2-fluoroanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-[(2-fluorophenyl)carbamoylamino]-2-keto-ethyl] ester Formula: C16H20FN3O6S MolecularWeight: 401.409903

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC(=O)NC2=CC=CC=C2F

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC(=O)NC2=CC=CC=C2F

InChI

InChI=1S/C16H20FN3O6S/c1-27(24,25)20-8-6-11(7-9-20)15(22)26-10-14(21)19-16(23)18-13-5-3-2-4-12(13)17/h2-5,11H,6-10H2,1H3,(H2,18,19,21,23)