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

Systemtic Name: [2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl] 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: [2-(N-isopropylanilino)-2-oxo-ethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid [2-oxo-2-(N-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(N-propan-2-ylanilino)ethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid [2-(N-isopropylanilino)-2-keto-ethyl] ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=CC=C1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)N(C1=CC=CC=C1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H28N2O5S/c1-18(2)25(20-9-5-3-6-10-20)22(26)17-30-23(27)19-13-15-24(16-14-19)31(28,29)21-11-7-4-8-12-21/h3-12,18-19H,13-17H2,1-2H3