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

Systemtic Name: [2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)piperidine-2-carboxylate Openeye Name: [2-(4-ethylanilino)-2-oxo-ethyl] 1-(benzenesulfonyl)piperidine-2-carboxylate CAS Name: 1-(benzenesulfonyl)-2-piperidinecarboxylic acid [2-(4-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylanilino)-2-oxoethyl] 1-(benzenesulfonyl)piperidine-2-carboxylate Traditional Name: 1-besylpipecolinic acid [2-(4-ethylanilino)-2-keto-ethyl] ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c1-2-17-11-13-18(14-12-17)23-21(25)16-29-22(26)20-10-6-7-15-24(20)30(27,28)19-8-4-3-5-9-19/h3-5,8-9,11-14,20H,2,6-7,10,15-16H2,1H3,(H,23,25)