[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 3-[(4-bromophenyl)sulfonylamino]benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 3-[(4-bromophenyl)sulfonylamino]benzoate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 3-[(4-bromophenyl)sulfonylamino]benzoate CAS Name: 3-[(4-bromophenyl)sulfonylamino]benzoic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 3-[(4-bromophenyl)sulfonylamino]benzoate Traditional Name: 3-(brosylamino)benzoic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C19H18BrN3O6S MolecularWeight: 496.33172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)COC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C=CCNC(=O)NC(=O)COC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C19H18BrN3O6S/c1-2-10-21-19(26)22-17(24)12-29-18(25)13-4-3-5-15(11-13)23-30(27,28)16-8-6-14(20)7-9-16/h2-9,11,23H,1,10,12H2,(H2,21,22,24,26)