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

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)piperidine-2-carboxylate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 1-(benzenesulfonyl)piperidine-2-carboxylate CAS Name: 1-(benzenesulfonyl)-2-piperidinecarboxylic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 1-(benzenesulfonyl)piperidine-2-carboxylate Traditional Name: 1-besylpipecolinic 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)C2CCCCN2S(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC=C3)C

InChI

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