[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-[(2-chlorophenyl)-prop-2-enyl-sulfamoyl]benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-[(2-chlorophenyl)-prop-2-enyl-sulfamoyl]benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-[allyl-(2-chlorophenyl)sulfamoyl]benzoate CAS Name: 3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzoate Traditional Name: 3-[allyl-(2-chlorophenyl)sulfamoyl]benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C21H20ClN3O5S MolecularWeight: 461.9186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1=CC=CC=C1Cl)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C=CCN(C1=CC=CC=C1Cl)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C21H20ClN3O5S/c1-2-13-25(19-10-4-3-9-18(19)22)31(28,29)17-8-5-7-16(14-17)21(27)30-15-20(26)24-12-6-11-23/h2-5,7-10,14H,1,6,12-13,15H2,(H,24,26)