[1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(2-fluoroanilino)-1-methyl-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [1-(2-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-fluoroanilino)-1-oxopropan-2-yl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-(2-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C16H21FN2O5S MolecularWeight: 372.411743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1F)OC(=O)C2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1F)OC(=O)C2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C16H21FN2O5S/c1-11(15(20)18-14-6-4-3-5-13(14)17)24-16(21)12-7-9-19(10-8-12)25(2,22)23/h3-6,11-12H,7-10H2,1-2H3,(H,18,20)