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

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 4-methyl-3-(m-tolylsulfamoyl)benzoate CAS Name: 4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoate Traditional Name: 4-methyl-3-(m-tolylsulfamoyl)benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C26H25N3O5S MolecularWeight: 491.5588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3)C

InChI

InChI=1S/C26H25N3O5S/c1-19-8-6-9-22(16-19)28-35(32,33)24-17-21(13-12-20(24)2)26(31)34-18-25(30)29(15-7-14-27)23-10-4-3-5-11-23/h3-6,8-13,16-17,28H,7,15,18H2,1-2H3