[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-[[3,4-bis(fluoranyl)phenyl]sulfonylamino]benzoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-[[3,4-bis(fluoranyl)phenyl]sulfonylamino]benzoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 4-[(3,4-difluorophenyl)sulfonylamino]benzoate CAS Name: 4-[(3,4-difluorophenyl)sulfonylamino]benzoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 4-[(3,4-difluorophenyl)sulfonylamino]benzoate Traditional Name: 4-[(3,4-difluorophenyl)sulfonylamino]benzoic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C21H14BrF2NO5S MolecularWeight: 510.305366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC(=O)C2=CC=C(C=C2)Br)NS(=O)(=O)C3=CC(=C(C=C3)F)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC(=O)C2=CC=C(C=C2)Br)NS(=O)(=O)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C21H14BrF2NO5S/c22-15-5-1-13(2-6-15)20(26)12-30-21(27)14-3-7-16(8-4-14)25-31(28,29)17-9-10-18(23)19(24)11-17/h1-11,25H,12H2