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

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 4-[(4-bromophenyl)sulfonylamino]benzoate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 4-[(4-bromophenyl)sulfonylamino]benzoate CAS Name: 4-[(4-bromophenyl)sulfonylamino]benzoic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 4-[(4-bromophenyl)sulfonylamino]benzoate Traditional Name: 4-(brosylamino)benzoic acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C19H20BrN3O6S MolecularWeight: 498.3476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrN3O6S/c1-2-11-21-19(26)22-17(24)12-29-18(25)13-3-7-15(8-4-13)23-30(27,28)16-9-5-14(20)6-10-16/h3-10,23H,2,11-12H2,1H3,(H2,21,22,24,26)