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

Systemtic Name: 4-(pyridin-1-ium-3-ylmethylsulfamoyl)benzoate Openeye Name: 4-(pyridin-1-ium-3-ylmethylsulfamoyl)benzoate CAS Name: 4-(3-pyridin-1-iumylmethylsulfamoyl)benzoate IUPAC Name: 4-(pyridin-1-ium-3-ylmethylsulfamoyl)benzoate Traditional Name: 4-(pyridin-1-ium-3-ylmethylsulfamoyl)benzoate Formula: C13H12N2O4S MolecularWeight: 292.31038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O4S/c16-13(17)11-3-5-12(6-4-11)20(18,19)15-9-10-2-1-7-14-8-10/h1-8,15H,9H2,(H,16,17)