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

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-ethoxycarbonylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-carbethoxyphenyl)sulfonylisonipecotic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C24H25N3O7S MolecularWeight: 499.5362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C24H25N3O7S/c1-2-33-23(29)18-5-9-21(10-6-18)35(31,32)27-13-11-19(12-14-27)24(30)34-16-22(28)26-20-7-3-17(15-25)4-8-20/h3-10,19H,2,11-14,16H2,1H3,(H,26,28)