3-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethylsulfamoyl]-4-fluoranyl-benzoic acid

Systemtic Name: 3-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethylsulfamoyl]-4-fluoranyl-benzoic acid Openeye Name: 3-[2-(2-bromo-4,5-dimethoxy-phenyl)ethylsulfamoyl]-4-fluoro-benzoic acid CAS Name: 3-[2-(2-bromo-4,5-dimethoxyphenyl)ethylsulfamoyl]-4-fluorobenzoic acid IUPAC Name: 3-[2-(2-bromo-4,5-dimethoxyphenyl)ethylsulfamoyl]-4-fluorobenzoic acid Traditional Name: 3-[2-(2-bromo-4,5-dimethoxy-phenyl)ethylsulfamoyl]-4-fluoro-benzoic acid Formula: C17H17BrFNO6S MolecularWeight: 462.287383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)F)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)F)Br)OC

InChI

InChI=1S/C17H17BrFNO6S/c1-25-14-7-10(12(18)9-15(14)26-2)5-6-20-27(23,24)16-8-11(17(21)22)3-4-13(16)19/h3-4,7-9,20H,5-6H2,1-2H3,(H,21,22)