3-(hydroxymethyl)-5-oxidanylidene-N-[2-(4-sulfamoylphenyl)ethyl]-2H-1,2,5-oxadiazol-5-ium-4-carboxamide

Systemtic Name: 3-(hydroxymethyl)-5-oxidanylidene-N-[2-(4-sulfamoylphenyl)ethyl]-2H-1,2,5-oxadiazol-5-ium-4-carboxamide Openeye Name: 3-(hydroxymethyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-2H-1,2,5-oxadiazol-5-ium-4-carboxamide CAS Name: 3-(hydroxymethyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-2H-1,2,5-oxadiazol-5-ium-4-carboxamide IUPAC Name: 3-(hydroxymethyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-2H-1,2,5-oxadiazol-5-ium-4-carboxamide Traditional Name: 5-keto-3-methylol-N-[2-(4-sulfamoylphenyl)ethyl]-2H-furazan-5-ium-4-carboxamide Formula: C12H15N4O6S+ MolecularWeight: 343.3357

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)C2=C(NO[N+]2=O)CO)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)C2=C(NO[N+]2=O)CO)S(=O)(=O)N

InChI

InChI=1S/C12H14N4O6S/c13-23(20,21)9-3-1-8(2-4-9)5-6-14-12(18)11-10(7-17)15-22-16(11)19/h1-4,17H,5-7H2,(H3-,13,14,15,18,19,20,21)/p+1