[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-[(phenylmethyl)sulfamoyl]benzoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-[(phenylmethyl)sulfamoyl]benzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 3-(benzylsulfamoyl)benzoate CAS Name: 3-[(phenylmethyl)sulfamoyl]benzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 3-(benzylsulfamoyl)benzoate Traditional Name: 3-(benzylsulfamoyl)benzoic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C22H22N4O5S MolecularWeight: 454.49888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C22H22N4O5S/c23-11-5-13-26(14-6-12-24)21(27)17-31-22(28)19-9-4-10-20(15-19)32(29,30)25-16-18-7-2-1-3-8-18/h1-4,7-10,15,25H,5-6,13-14,16-17H2