2-chloranyl-5-(pyridin-1-ium-4-ylmethylsulfamoyl)benzoate

Systemtic Name: 2-chloranyl-5-(pyridin-1-ium-4-ylmethylsulfamoyl)benzoate Openeye Name: 2-chloro-5-(pyridin-1-ium-4-ylmethylsulfamoyl)benzoate CAS Name: 2-chloro-5-(4-pyridin-1-iumylmethylsulfamoyl)benzoate IUPAC Name: 2-chloro-5-(pyridin-1-ium-4-ylmethylsulfamoyl)benzoate Traditional Name: 2-chloro-5-(pyridin-1-ium-4-ylmethylsulfamoyl)benzoate Formula: C13H11ClN2O4S MolecularWeight: 326.75544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)NCC2=CC=[NH+]C=C2)C(=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)NCC2=CC=[NH+]C=C2)C(=O)[O-])Cl

InChI

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