[4-[(4-azanylperoxysulfanyloxy-3-bromanyl-phenyl)-(1,2,4-triazol-1-yl)methyl]-2-bromanyl-phenyl] sulfamate

Systemtic Name: [4-[(4-azanylperoxysulfanyloxy-3-bromanyl-phenyl)-(1,2,4-triazol-1-yl)methyl]-2-bromanyl-phenyl] sulfamate Openeye Name: [4-[(4-aminoperoxysulfanyloxy-3-bromo-phenyl)-(1,2,4-triazol-1-yl)methyl]-2-bromo-phenyl] sulfamate CAS Name: sulfamic acid [4-[[4-(aminodioxythio)oxy-3-bromophenyl]-(1,2,4-triazol-1-yl)methyl]-2-bromophenyl] ester IUPAC Name: [4-[(4-aminoperoxysulfanyloxy-3-bromophenyl)-(1,2,4-triazol-1-yl)methyl]-2-bromophenyl] sulfamate Traditional Name: sulfamic acid [4-[[4-(aminoperoxythio)oxy-3-bromo-phenyl]-(1,2,4-triazol-1-yl)methyl]-2-bromo-phenyl] ester Formula: C15H13Br2N5O6S2 MolecularWeight: 583.23162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(C2=CC(=C(C=C2)OS(=O)(=O)N)Br)N3C=NC=N3)Br)OSOON

Isomeric SMILES

C1=CC(=C(C=C1C(C2=CC(=C(C=C2)OS(=O)(=O)N)Br)N3C=NC=N3)Br)OSOON

InChI

InChI=1S/C15H13Br2N5O6S2/c16-11-5-9(1-3-13(11)25-29-28-27-18)15(22-8-20-7-21-22)10-2-4-14(12(17)6-10)26-30(19,23)24/h1-8,15H,18H2,(H2,19,23,24)