5-bromanyl-3-[(4-ethoxycarbonylphenyl)sulfamoyl]-2-fluoranyl-benzoic acid

Systemtic Name: 5-bromanyl-3-[(4-ethoxycarbonylphenyl)sulfamoyl]-2-fluoranyl-benzoic acid Openeye Name: 5-bromo-3-[(4-ethoxycarbonylphenyl)sulfamoyl]-2-fluoro-benzoic acid CAS Name: 5-bromo-3-[(4-ethoxycarbonylphenyl)sulfamoyl]-2-fluorobenzoic acid IUPAC Name: 5-bromo-3-[(4-ethoxycarbonylphenyl)sulfamoyl]-2-fluorobenzoic acid Traditional Name: 5-bromo-3-[(4-carbethoxyphenyl)sulfamoyl]-2-fluoro-benzoic acid Formula: C16H13BrFNO6S MolecularWeight: 446.244923

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=C(C(=CC(=C2)Br)C(=O)O)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=C(C(=CC(=C2)Br)C(=O)O)F

InChI

InChI=1S/C16H13BrFNO6S/c1-2-25-16(22)9-3-5-11(6-4-9)19-26(23,24)13-8-10(17)7-12(14(13)18)15(20)21/h3-8,19H,2H2,1H3,(H,20,21)