2-(3-methylimidazol-3-ium-1-yl)-N-[4-(methylsulfonylamino)-3-oxidanyl-phenyl]ethanamide chloride

Systemtic Name: 2-(3-methylimidazol-3-ium-1-yl)-N-[4-(methylsulfonylamino)-3-oxidanyl-phenyl]ethanamide chloride Openeye Name: N-[3-hydroxy-4-(methanesulfonamido)phenyl]-2-(3-methylimidazol-3-ium-1-yl)acetamide chloride CAS Name: N-[3-hydroxy-4-(methanesulfonamido)phenyl]-2-(3-methyl-1-imidazol-3-iumyl)acetamide chloride IUPAC Name: N-[3-hydroxy-4-(methanesulfonamido)phenyl]-2-(3-methylimidazol-3-ium-1-yl)acetamide chloride Traditional Name: N-[3-hydroxy-4-(methanesulfonamido)phenyl]-2-(3-methylimidazol-3-ium-1-yl)acetamide chloride Formula: C13H17ClN4O4S MolecularWeight: 360.81648

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CC(=O)NC2=CC(=C(C=C2)NS(=O)(=O)C)O.[Cl-]

Isomeric SMILES

C[N+]1=CN(C=C1)CC(=O)NC2=CC(=C(C=C2)NS(=O)(=O)C)O.[Cl-]

InChI

InChI=1S/C13H16N4O4S.ClH/c1-16-5-6-17(9-16)8-13(19)14-10-3-4-11(12(18)7-10)15-22(2,20)21;/h3-7,9,15H,8H2,1-2H3,(H-,14,18,19);1H