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

Systemtic Name: methyl 3-azanyl-4-(pyridin-1-ium-4-ylsulfamoyl)benzoate Openeye Name: methyl 3-amino-4-(pyridin-1-ium-4-ylsulfamoyl)benzoate CAS Name: 3-amino-4-(4-pyridin-1-iumylsulfamoyl)benzoic acid methyl ester IUPAC Name: methyl 3-amino-4-(pyridin-1-ium-4-ylsulfamoyl)benzoate Traditional Name: 3-amino-4-(pyridin-1-ium-4-ylsulfamoyl)benzoic acid methyl ester Formula: C13H14N3O4S+ MolecularWeight: 308.33296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O4S/c1-20-13(17)9-2-3-12(11(14)8-9)21(18,19)16-10-4-6-15-7-5-10/h2-8H,14H2,1H3,(H,15,16)/p+1