5-bromanyl-2-fluoranyl-3-(2-methylmorpholin-4-yl)sulfonyl-benzoic acid

Systemtic Name: 5-bromanyl-2-fluoranyl-3-(2-methylmorpholin-4-yl)sulfonyl-benzoic acid Openeye Name: 5-bromo-2-fluoro-3-(2-methylmorpholin-4-yl)sulfonyl-benzoic acid CAS Name: 5-bromo-2-fluoro-3-[(2-methyl-4-morpholinyl)sulfonyl]benzoic acid IUPAC Name: 5-bromo-2-fluoro-3-(2-methylmorpholin-4-yl)sulfonylbenzoic acid Traditional Name: 5-bromo-2-fluoro-3-(2-methylmorpholino)sulfonyl-benzoic acid Formula: C12H13BrFNO5S MolecularWeight: 382.202723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCO1)S(=O)(=O)C2=C(C(=CC(=C2)Br)C(=O)O)F

Isomeric SMILES

CC1CN(CCO1)S(=O)(=O)C2=C(C(=CC(=C2)Br)C(=O)O)F

InChI

InChI=1S/C12H13BrFNO5S/c1-7-6-15(2-3-20-7)21(18,19)10-5-8(13)4-9(11(10)14)12(16)17/h4-5,7H,2-3,6H2,1H3,(H,16,17)