[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-[(3-aminophenyl)sulfonylamino]benzoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-[(3-aminophenyl)sulfonylamino]benzoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 2-[(3-aminophenyl)sulfonylamino]benzoate CAS Name: 2-[(3-aminophenyl)sulfonylamino]benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-[(3-aminophenyl)sulfonylamino]benzoate Traditional Name: 2-[(3-aminophenyl)sulfonylamino]benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C24H22N4O5S MolecularWeight: 478.52028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CC(=C3)N

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CC(=C3)N

InChI

InChI=1S/C24H22N4O5S/c25-14-7-15-28(19-9-2-1-3-10-19)23(29)17-33-24(30)21-12-4-5-13-22(21)27-34(31,32)20-11-6-8-18(26)16-20/h1-6,8-13,16,27H,7,15,17,26H2