[2-[(2-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[(2-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(2-ethoxycarbonylanilino)-2-oxo-ethyl] 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-methoxycarbonylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-(2-ethoxycarbonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-carbomethoxyphenyl)sulfonylisonipecotic acid [2-(2-carbethoxyanilino)-2-keto-ethyl] ester Formula: C25H28N2O9S MolecularWeight: 532.56282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C25H28N2O9S/c1-3-35-25(31)18-8-4-6-10-20(18)26-22(28)16-36-23(29)17-12-14-27(15-13-17)37(32,33)21-11-7-5-9-19(21)24(30)34-2/h4-11,17H,3,12-16H2,1-2H3,(H,26,28)