[4-[(2-sulfamoyloxyphenyl)carbonyl-(1H-1,2,4-triazol-4-ium-4-yl)amino]phenyl] sulfamate

Systemtic Name: [4-[(2-sulfamoyloxyphenyl)carbonyl-(1H-1,2,4-triazol-4-ium-4-yl)amino]phenyl] sulfamate Openeye Name: [4-[(2-sulfamoyloxybenzoyl)-(1H-1,2,4-triazol-4-ium-4-yl)amino]phenyl] sulfamate CAS Name: sulfamic acid [4-[[oxo-(2-sulfamoyloxyphenyl)methyl]-(1H-1,2,4-triazol-4-ium-4-yl)amino]phenyl] ester IUPAC Name: [4-[(2-sulfamoyloxybenzoyl)-(1H-1,2,4-triazol-4-ium-4-yl)amino]phenyl] sulfamate Traditional Name: sulfamic acid [4-[(2-sulfamoyloxybenzoyl)-(1H-1,2,4-triazol-4-ium-4-yl)amino]phenyl] ester Formula: C15H15N6O7S2+ MolecularWeight: 455.4456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)N(C2=CC=C(C=C2)OS(=O)(=O)N)[N+]3=CNN=C3)OS(=O)(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)N(C2=CC=C(C=C2)OS(=O)(=O)N)[N+]3=CNN=C3)OS(=O)(=O)N

InChI

InChI=1S/C15H14N6O7S2/c16-29(23,24)27-12-7-5-11(6-8-12)21(20-9-18-19-10-20)15(22)13-3-1-2-4-14(13)28-30(17,25)26/h1-10H,(H4,16,17,23,24,25,26)/p+1