[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C23H28N2O5S/c1-3-18-9-7-8-17(2)22(18)24-21(26)16-30-23(27)19-12-14-25(15-13-19)31(28,29)20-10-5-4-6-11-20/h4-11,19H,3,12-16H2,1-2H3,(H,24,26)