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

Systemtic Name: [1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: [2-(2-fluoroanilino)-1-methyl-2-oxo-ethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid [1-(2-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-fluoroanilino)-1-oxopropan-2-yl] 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid [2-(2-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H23FN2O5S MolecularWeight: 434.481123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1F)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1F)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23FN2O5S/c1-15(20(25)23-19-10-6-5-9-18(19)22)29-21(26)16-11-13-24(14-12-16)30(27,28)17-7-3-2-4-8-17/h2-10,15-16H,11-14H2,1H3,(H,23,25)