[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-chloranyl-3-[(4-chlorophenyl)-prop-2-enyl-sulfamoyl]benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-chloranyl-3-[(4-chlorophenyl)-prop-2-enyl-sulfamoyl]benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-[allyl-(4-chlorophenyl)sulfamoyl]-4-chloro-benzoate CAS Name: 4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoate Traditional Name: 3-[allyl-(4-chlorophenyl)sulfamoyl]-4-chloro-benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C21H19Cl2N3O5S MolecularWeight: 496.36366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19Cl2N3O5S/c1-2-12-26(17-7-5-16(22)6-8-17)32(29,30)19-13-15(4-9-18(19)23)21(28)31-14-20(27)25-11-3-10-24/h2,4-9,13H,1,3,11-12,14H2,(H,25,27)