phenyl N-[[(3-cyanophenyl)carbonyl-(1H-1,2,4-triazol-4-ium-4-yl)amino]methyl]sulfamate

Systemtic Name: phenyl N-[[(3-cyanophenyl)carbonyl-(1H-1,2,4-triazol-4-ium-4-yl)amino]methyl]sulfamate Openeye Name: phenyl N-[[(3-cyanobenzoyl)-(1H-1,2,4-triazol-4-ium-4-yl)amino]methyl]sulfamate CAS Name: N-[[[(3-cyanophenyl)-oxomethyl]-(1H-1,2,4-triazol-4-ium-4-yl)amino]methyl]sulfamic acid phenyl ester IUPAC Name: phenyl N-[[(3-cyanobenzoyl)-(1H-1,2,4-triazol-4-ium-4-yl)amino]methyl]sulfamate Traditional Name: N-[[(3-cyanobenzoyl)-(1H-1,2,4-triazol-4-ium-4-yl)amino]methyl]sulfamic acid phenyl ester Formula: C17H15N6O4S+ MolecularWeight: 399.4038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N6O4S/c18-10-14-5-4-6-15(9-14)17(24)23(22-11-19-20-12-22)13-21-28(25,26)27-16-7-2-1-3-8-16/h1-9,11-12,21H,13H2/p+1