[2-[methyl(1-phenylethyl)amino]-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)piperidine-4-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O5S/c1-18(19-9-5-3-6-10-19)24(2)22(26)17-30-23(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