phenyl N-[[(4-nitrophenyl)-(1H-1,2,4-triazol-4-ium-4-yl)amino]methyl]sulfamate

Systemtic Name: phenyl N-[[(4-nitrophenyl)-(1H-1,2,4-triazol-4-ium-4-yl)amino]methyl]sulfamate Openeye Name: phenyl N-[[4-nitro-N-(1H-1,2,4-triazol-4-ium-4-yl)anilino]methyl]sulfamate CAS Name: N-[[4-nitro-N-(1H-1,2,4-triazol-4-ium-4-yl)anilino]methyl]sulfamic acid phenyl ester IUPAC Name: phenyl N-[[4-nitro-N-(1H-1,2,4-triazol-4-ium-4-yl)anilino]methyl]sulfamate Traditional Name: N-[[4-nitro-N-(1H-1,2,4-triazol-4-ium-4-yl)anilino]methyl]sulfamic acid phenyl ester Formula: C15H15N6O5S+ MolecularWeight: 391.3818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N6O5S/c22-21(23)14-8-6-13(7-9-14)20(19-10-16-17-11-19)12-18-27(24,25)26-15-4-2-1-3-5-15/h1-11,18H,12H2/p+1