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

Systemtic Name: [1-[1-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: [2-[1-(4-fluorophenyl)ethylamino]-1-methyl-2-oxo-ethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid [2-[1-(4-fluorophenyl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C23H27FN2O5S MolecularWeight: 462.534283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)NC(=O)C(C)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C1=CC=C(C=C1)F)NC(=O)C(C)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H27FN2O5S/c1-16(18-8-10-20(24)11-9-18)25-22(27)17(2)31-23(28)19-12-14-26(15-13-19)32(29,30)21-6-4-3-5-7-21/h3-11,16-17,19H,12-15H2,1-2H3,(H,25,27)