[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)piperidine-2-carboxylate

Systemtic Name: [2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)piperidine-2-carboxylate Openeye Name: [2-(2,6-diethylanilino)-2-oxo-ethyl] 1-(benzenesulfonyl)piperidine-2-carboxylate CAS Name: 1-(benzenesulfonyl)-2-piperidinecarboxylic acid [2-(2,6-diethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-diethylanilino)-2-oxoethyl] 1-(benzenesulfonyl)piperidine-2-carboxylate Traditional Name: 1-besylpipecolinic acid [2-(2,6-diethylanilino)-2-keto-ethyl] ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H30N2O5S/c1-3-18-11-10-12-19(4-2)23(18)25-22(27)17-31-24(28)21-15-8-9-16-26(21)32(29,30)20-13-6-5-7-14-20/h5-7,10-14,21H,3-4,8-9,15-17H2,1-2H3,(H,25,27)