[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-methoxyphenyl)sulfamoyl]benzoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-methoxyphenyl)sulfamoyl]benzoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 3-[(4-methoxyphenyl)sulfamoyl]benzoate CAS Name: 3-[(4-methoxyphenyl)sulfamoyl]benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3-[(4-methoxyphenyl)sulfamoyl]benzoate Traditional Name: 3-[(4-methoxyphenyl)sulfamoyl]benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C25H23N3O6S MolecularWeight: 493.53162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C25H23N3O6S/c1-33-22-13-11-20(12-14-22)27-35(31,32)23-10-5-7-19(17-23)25(30)34-18-24(29)28(16-6-15-26)21-8-3-2-4-9-21/h2-5,7-14,17,27H,6,16,18H2,1H3