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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=CC=CC=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N(C)CC1=CC=CC=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

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