2-methyl-5-(pyridin-1-ium-4-ylsulfamoyl)benzoate

Systemtic Name: 2-methyl-5-(pyridin-1-ium-4-ylsulfamoyl)benzoate Openeye Name: 2-methyl-5-(pyridin-1-ium-4-ylsulfamoyl)benzoate CAS Name: 2-methyl-5-(4-pyridin-1-iumylsulfamoyl)benzoate IUPAC Name: 2-methyl-5-(pyridin-1-ium-4-ylsulfamoyl)benzoate Traditional Name: 2-methyl-5-(pyridin-1-ium-4-ylsulfamoyl)benzoate Formula: C13H12N2O4S MolecularWeight: 292.31038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=[NH+]C=C2)C(=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=[NH+]C=C2)C(=O)[O-]

InChI

InChI=1S/C13H12N2O4S/c1-9-2-3-11(8-12(9)13(16)17)20(18,19)15-10-4-6-14-7-5-10/h2-8H,1H3,(H,14,15)(H,16,17)