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

Systemtic Name: 3-bromanyl-4-(pyridin-1-ium-4-ylsulfamoyl)benzoate Openeye Name: 3-bromo-4-(pyridin-1-ium-4-ylsulfamoyl)benzoate CAS Name: 3-bromo-4-(4-pyridin-1-iumylsulfamoyl)benzoate IUPAC Name: 3-bromo-4-(pyridin-1-ium-4-ylsulfamoyl)benzoate Traditional Name: 3-bromo-4-(pyridin-1-ium-4-ylsulfamoyl)benzoate Formula: C12H9BrN2O4S MolecularWeight: 357.17986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)[O-])Br)S(=O)(=O)NC2=CC=[NH+]C=C2

Isomeric SMILES

C1=CC(=C(C=C1C(=O)[O-])Br)S(=O)(=O)NC2=CC=[NH+]C=C2

InChI

InChI=1S/C12H9BrN2O4S/c13-10-7-8(12(16)17)1-2-11(10)20(18,19)15-9-3-5-14-6-4-9/h1-7H,(H,14,15)(H,16,17)