[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-chloranyl-3-[(phenylmethyl)sulfamoyl]benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-chloranyl-3-[(phenylmethyl)sulfamoyl]benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-(benzylsulfamoyl)-4-chloro-benzoate CAS Name: 4-chloro-3-[(phenylmethyl)sulfamoyl]benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-(benzylsulfamoyl)-4-chlorobenzoate Traditional Name: 3-(benzylsulfamoyl)-4-chloro-benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C19H18ClN3O5S MolecularWeight: 435.88132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O5S/c20-16-8-7-15(19(25)28-13-18(24)22-10-4-9-21)11-17(16)29(26,27)23-12-14-5-2-1-3-6-14/h1-3,5-8,11,23H,4,10,12-13H2,(H,22,24)