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

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-nitrophenyl)sulfamoyl]benzoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 3-[(4-nitrophenyl)sulfamoyl]benzoate CAS Name: 3-[(4-nitrophenyl)sulfamoyl]benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3-[(4-nitrophenyl)sulfamoyl]benzoate Traditional Name: 3-[(4-nitrophenyl)sulfamoyl]benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C24H20N4O7S MolecularWeight: 508.5032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H20N4O7S/c25-14-5-15-27(20-7-2-1-3-8-20)23(29)17-35-24(30)18-6-4-9-22(16-18)36(33,34)26-19-10-12-21(13-11-19)28(31)32/h1-4,6-13,16,26H,5,15,17H2