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

Systemtic Name: 5-bromanyl-3-[(4,5-dimethoxy-2-methoxycarbonyl-phenyl)sulfamoyl]-2-fluoranyl-benzoic acid Openeye Name: 5-bromo-3-[(4,5-dimethoxy-2-methoxycarbonyl-phenyl)sulfamoyl]-2-fluoro-benzoic acid CAS Name: 5-bromo-3-[(4,5-dimethoxy-2-methoxycarbonylphenyl)sulfamoyl]-2-fluorobenzoic acid IUPAC Name: 5-bromo-3-[(4,5-dimethoxy-2-methoxycarbonylphenyl)sulfamoyl]-2-fluorobenzoic acid Traditional Name: 5-bromo-3-[(2-carbomethoxy-4,5-dimethoxy-phenyl)sulfamoyl]-2-fluoro-benzoic acid Formula: C17H15BrFNO8S MolecularWeight: 492.270303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrFNO8S/c1-26-12-6-9(17(23)28-3)11(7-13(12)27-2)20-29(24,25)14-5-8(18)4-10(15(14)19)16(21)22/h4-7,20H,1-3H3,(H,21,22)