5-bromanyl-2-fluoranyl-3-[methyl(thiolan-3-yl)sulfamoyl]benzoic acid

Systemtic Name: 5-bromanyl-2-fluoranyl-3-[methyl(thiolan-3-yl)sulfamoyl]benzoic acid Openeye Name: 5-bromo-2-fluoro-3-[methyl(tetrahydrothiophen-3-yl)sulfamoyl]benzoic acid CAS Name: 5-bromo-2-fluoro-3-[methyl(3-thiolanyl)sulfamoyl]benzoic acid IUPAC Name: 5-bromo-2-fluoro-3-[methyl(thiolan-3-yl)sulfamoyl]benzoic acid Traditional Name: 5-bromo-2-fluoro-3-[methyl(tetrahydrothiophen-3-yl)sulfamoyl]benzoic acid Formula: C12H13BrFNO4S2 MolecularWeight: 398.268323

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCSC1)S(=O)(=O)C2=C(C(=CC(=C2)Br)C(=O)O)F

Isomeric SMILES

CN(C1CCSC1)S(=O)(=O)C2=C(C(=CC(=C2)Br)C(=O)O)F

InChI

InChI=1S/C12H13BrFNO4S2/c1-15(8-2-3-20-6-8)21(18,19)10-5-7(13)4-9(11(10)14)12(16)17/h4-5,8H,2-3,6H2,1H3,(H,16,17)