3-[5-[(4-fluorophenyl)carbamoyl]-1-oxidanidyl-pyridin-1-ium-2-yl]sulfonylbenzoic acid

Systemtic Name: 3-[5-[(4-fluorophenyl)carbamoyl]-1-oxidanidyl-pyridin-1-ium-2-yl]sulfonylbenzoic acid Openeye Name: 3-[5-[(4-fluorophenyl)carbamoyl]-1-oxido-pyridin-1-ium-2-yl]sulfonylbenzoic acid CAS Name: 3-[[5-[(4-fluoroanilino)-oxomethyl]-1-oxido-2-pyridin-1-iumyl]sulfonyl]benzoic acid IUPAC Name: 3-[5-[(4-fluorophenyl)carbamoyl]-1-oxidopyridin-1-ium-2-yl]sulfonylbenzoic acid Traditional Name: 3-[5-[(4-fluorophenyl)carbamoyl]-1-oxido-pyridin-1-ium-2-yl]sulfonylbenzoic acid Formula: C19H13FN2O6S MolecularWeight: 416.379723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)C2=[N+](C=C(C=C2)C(=O)NC3=CC=C(C=C3)F)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)C2=[N+](C=C(C=C2)C(=O)NC3=CC=C(C=C3)F)[O-])C(=O)O

InChI

InChI=1S/C19H13FN2O6S/c20-14-5-7-15(8-6-14)21-18(23)13-4-9-17(22(26)11-13)29(27,28)16-3-1-2-12(10-16)19(24)25/h1-11H,(H,21,23)(H,24,25)