[1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: [1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: [2-(3-chloroanilino)-1-methyl-2-oxo-ethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid [1-(3-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chloroanilino)-1-oxopropan-2-yl] 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid [2-(3-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Cl)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)Cl)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23ClN2O5S/c1-15(20(25)23-18-7-5-6-17(22)14-18)29-21(26)16-10-12-24(13-11-16)30(27,28)19-8-3-2-4-9-19/h2-9,14-16H,10-13H2,1H3,(H,23,25)