3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-4-fluoranyl-benzoic acid

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-4-fluoranyl-benzoic acid Openeye Name: 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-4-fluoro-benzoic acid CAS Name: 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-4-fluorobenzoic acid IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-4-fluorobenzoic acid Traditional Name: 4-fluoro-3-(piperonylsulfamoyl)benzoic acid Formula: C15H12FNO6S MolecularWeight: 353.322283

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)F

InChI

InChI=1S/C15H12FNO6S/c16-11-3-2-10(15(18)19)6-14(11)24(20,21)17-7-9-1-4-12-13(5-9)23-8-22-12/h1-6,17H,7-8H2,(H,18,19)