4-fluoranyl-3-(pyridin-1-ium-4-ylsulfamoyl)benzoate

Systemtic Name: 4-fluoranyl-3-(pyridin-1-ium-4-ylsulfamoyl)benzoate Openeye Name: 4-fluoro-3-(pyridin-1-ium-4-ylsulfamoyl)benzoate CAS Name: 4-fluoro-3-(4-pyridin-1-iumylsulfamoyl)benzoate IUPAC Name: 4-fluoro-3-(pyridin-1-ium-4-ylsulfamoyl)benzoate Traditional Name: 4-fluoro-3-(pyridin-1-ium-4-ylsulfamoyl)benzoate Formula: C12H9FN2O4S MolecularWeight: 296.274263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)[O-])S(=O)(=O)NC2=CC=[NH+]C=C2)F

Isomeric SMILES

C1=CC(=C(C=C1C(=O)[O-])S(=O)(=O)NC2=CC=[NH+]C=C2)F

InChI

InChI=1S/C12H9FN2O4S/c13-10-2-1-8(12(16)17)7-11(10)20(18,19)15-9-3-5-14-6-4-9/h1-7H,(H,14,15)(H,16,17)