(1-oxidanylidene-1-phenylazanyl-propan-2-yl) 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenylazanyl-propan-2-yl) 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: (2-anilino-1-methyl-2-oxo-ethyl) 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid (1-anilino-1-oxopropan-2-yl) ester IUPAC Name: (1-anilino-1-oxopropan-2-yl) 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid (2-anilino-2-keto-1-methyl-ethyl) ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S/c1-16(20(24)22-18-8-4-2-5-9-18)28-21(25)17-12-14-23(15-13-17)29(26,27)19-10-6-3-7-11-19/h2-11,16-17H,12-15H2,1H3,(H,22,24)