3-[[4-fluoranyl-2-(trifluoromethyl)phenyl]sulfamoyl]benzenesulfonic acid

Systemtic Name: 3-[[4-fluoranyl-2-(trifluoromethyl)phenyl]sulfamoyl]benzenesulfonic acid Openeye Name: 3-[[4-fluoro-2-(trifluoromethyl)phenyl]sulfamoyl]benzenesulfonic acid CAS Name: 3-[[4-fluoro-2-(trifluoromethyl)phenyl]sulfamoyl]benzenesulfonic acid IUPAC Name: 3-[[4-fluoro-2-(trifluoromethyl)phenyl]sulfamoyl]benzenesulfonic acid Traditional Name: 3-[[4-fluoro-2-(trifluoromethyl)phenyl]sulfamoyl]besylic acid Formula: C13H9F4NO5S2 MolecularWeight: 399.337873

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)S(=O)(=O)NC2=C(C=C(C=C2)F)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)S(=O)(=O)NC2=C(C=C(C=C2)F)C(F)(F)F

InChI

InChI=1S/C13H9F4NO5S2/c14-8-4-5-12(11(6-8)13(15,16)17)18-24(19,20)9-2-1-3-10(7-9)25(21,22)23/h1-7,18H,(H,21,22,23)