5-bromanyl-2-fluoranyl-3-(2-imidazol-1-ylethylsulfonyl)benzoic acid

Systemtic Name: 5-bromanyl-2-fluoranyl-3-(2-imidazol-1-ylethylsulfonyl)benzoic acid Openeye Name: 5-bromo-2-fluoro-3-(2-imidazol-1-ylethylsulfonyl)benzoic acid CAS Name: 5-bromo-2-fluoro-3-[2-(1-imidazolyl)ethylsulfonyl]benzoic acid IUPAC Name: 5-bromo-2-fluoro-3-(2-imidazol-1-ylethylsulfonyl)benzoic acid Traditional Name: 5-bromo-2-fluoro-3-(2-imidazol-1-ylethylsulfonyl)benzoic acid Formula: C12H10BrFN2O4S MolecularWeight: 377.186203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)CCS(=O)(=O)C2=C(C(=CC(=C2)Br)C(=O)O)F

Isomeric SMILES

C1=CN(C=N1)CCS(=O)(=O)C2=C(C(=CC(=C2)Br)C(=O)O)F

InChI

InChI=1S/C12H10BrFN2O4S/c13-8-5-9(12(17)18)11(14)10(6-8)21(19,20)4-3-16-2-1-15-7-16/h1-2,5-7H,3-4H2,(H,17,18)