[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(3-fluoroanilino)-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-(3-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoroanilino)-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-(3-fluoroanilino)-2-keto-ethyl] ester Formula: C15H19FN2O5S MolecularWeight: 358.385163

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC2=CC(=CC=C2)F

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC2=CC(=CC=C2)F

InChI

InChI=1S/C15H19FN2O5S/c1-24(21,22)18-7-5-11(6-8-18)15(20)23-10-14(19)17-13-4-2-3-12(16)9-13/h2-4,9,11H,5-8,10H2,1H3,(H,17,19)