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

Systemtic Name: 4-chloranyl-3-(pyridin-1-ium-3-ylmethylsulfamoyl)benzoate Openeye Name: 4-chloro-3-(pyridin-1-ium-3-ylmethylsulfamoyl)benzoate CAS Name: 4-chloro-3-(3-pyridin-1-iumylmethylsulfamoyl)benzoate IUPAC Name: 4-chloro-3-(pyridin-1-ium-3-ylmethylsulfamoyl)benzoate Traditional Name: 4-chloro-3-(pyridin-1-ium-3-ylmethylsulfamoyl)benzoate Formula: C13H11ClN2O4S MolecularWeight: 326.75544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11ClN2O4S/c14-11-4-3-10(13(17)18)6-12(11)21(19,20)16-8-9-2-1-5-15-7-9/h1-7,16H,8H2,(H,17,18)