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

Systemtic Name: 4-methyl-3-(pyridin-1-ium-4-ylsulfamoyl)benzoate Openeye Name: 4-methyl-3-(pyridin-1-ium-4-ylsulfamoyl)benzoate CAS Name: 4-methyl-3-(4-pyridin-1-iumylsulfamoyl)benzoate IUPAC Name: 4-methyl-3-(pyridin-1-ium-4-ylsulfamoyl)benzoate Traditional Name: 4-methyl-3-(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)C(=O)[O-])S(=O)(=O)NC2=CC=[NH+]C=C2

Isomeric SMILES

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

InChI

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