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

Systemtic Name: 3-(pyridin-1-ium-4-ylsulfamoyl)benzoate Openeye Name: 3-(pyridin-1-ium-4-ylsulfamoyl)benzoate CAS Name: 3-(4-pyridin-1-iumylsulfamoyl)benzoate IUPAC Name: 3-(pyridin-1-ium-4-ylsulfamoyl)benzoate Traditional Name: 3-(pyridin-1-ium-4-ylsulfamoyl)benzoate Formula: C12H10N2O4S MolecularWeight: 278.2838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O4S/c15-12(16)9-2-1-3-11(8-9)19(17,18)14-10-4-6-13-7-5-10/h1-8H,(H,13,14)(H,15,16)