5-[[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]sulfamoyl]-2-fluoranyl-benzoic acid

Systemtic Name: 5-[[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]sulfamoyl]-2-fluoranyl-benzoic acid Openeye Name: 5-[[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]sulfamoyl]-2-fluoro-benzoic acid CAS Name: 5-[[2-[(1,3-benzodioxol-5-ylamino)-oxomethyl]phenyl]sulfamoyl]-2-fluorobenzoic acid IUPAC Name: 5-[[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]sulfamoyl]-2-fluorobenzoic acid Traditional Name: 5-[[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]sulfamoyl]-2-fluoro-benzoic acid Formula: C21H15FN2O7S MolecularWeight: 458.416403

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC(=C(C=C4)F)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC(=C(C=C4)F)C(=O)O

InChI

InChI=1S/C21H15FN2O7S/c22-16-7-6-13(10-15(16)21(26)27)32(28,29)24-17-4-2-1-3-14(17)20(25)23-12-5-8-18-19(9-12)31-11-30-18/h1-10,24H,11H2,(H,23,25)(H,26,27)