[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-[(4-bromophenyl)sulfonylamino]benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-[(4-bromophenyl)sulfonylamino]benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 4-[(4-bromophenyl)sulfonylamino]benzoate CAS Name: 4-[(4-bromophenyl)sulfonylamino]benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 4-[(4-bromophenyl)sulfonylamino]benzoate Traditional Name: 4-(brosylamino)benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C18H16BrN3O5S MolecularWeight: 466.30574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC(=O)NCCC#N)NS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC(=O)NCCC#N)NS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H16BrN3O5S/c19-14-4-8-16(9-5-14)28(25,26)22-15-6-2-13(3-7-15)18(24)27-12-17(23)21-11-1-10-20/h2-9,22H,1,11-12H2,(H,21,23)