1-(2-azanylperoxysulfanyl-3,4,5,6-tetrasulfamoyl-phenyl)-3-(4-methoxyphenyl)urea

Systemtic Name: 1-(2-azanylperoxysulfanyl-3,4,5,6-tetrasulfamoyl-phenyl)-3-(4-methoxyphenyl)urea Openeye Name: 1-(2-aminoperoxysulfanyl-3,4,5,6-tetrasulfamoyl-phenyl)-3-(4-methoxyphenyl)urea CAS Name: 2-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,5,6-tetrasulfamoylbenzenesulfenic acid aminooxy ester IUPAC Name: 1-(2-aminoperoxysulfanyl-3,4,5,6-tetrasulfamoylphenyl)-3-(4-methoxyphenyl)urea Traditional Name: 1-[2-(aminoperoxythio)-3,4,5,6-tetrasulfamoyl-phenyl]-3-(4-methoxyphenyl)urea Formula: C14H19N7O12S5 MolecularWeight: 637.66536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)NC2=C(C(=C(C(=C2S(=O)(=O)N)S(=O)(=O)N)S(=O)(=O)N)S(=O)(=O)N)SOON

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)NC2=C(C(=C(C(=C2S(=O)(=O)N)S(=O)(=O)N)S(=O)(=O)N)S(=O)(=O)N)SOON

InChI

InChI=1S/C14H19N7O12S5/c1-31-7-4-2-6(3-5-7)20-14(22)21-8-9(34-33-32-15)11(36(17,25)26)13(38(19,29)30)12(37(18,27)28)10(8)35(16,23)24/h2-5H,15H2,1H3,(H2,16,23,24)(H2,17,25,26)(H2,18,27,28)(H2,19,29,30)(H2,20,21,22)