1-(2-azanylperoxysulfanyl-6-sulfamoyl-phenyl)-3-(4-bromophenyl)urea

Systemtic Name: 1-(2-azanylperoxysulfanyl-6-sulfamoyl-phenyl)-3-(4-bromophenyl)urea Openeye Name: 1-(2-aminoperoxysulfanyl-6-sulfamoyl-phenyl)-3-(4-bromophenyl)urea CAS Name: 2-[[(4-bromoanilino)-oxomethyl]amino]-3-sulfamoylbenzenesulfenic acid aminooxy ester IUPAC Name: 1-(2-aminoperoxysulfanyl-6-sulfamoylphenyl)-3-(4-bromophenyl)urea Traditional Name: 1-[2-(aminoperoxythio)-6-sulfamoyl-phenyl]-3-(4-bromophenyl)urea Formula: C13H13BrN4O5S2 MolecularWeight: 449.30012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)S(=O)(=O)N)NC(=O)NC2=CC=C(C=C2)Br)SOON

Isomeric SMILES

C1=CC(=C(C(=C1)S(=O)(=O)N)NC(=O)NC2=CC=C(C=C2)Br)SOON

InChI

InChI=1S/C13H13BrN4O5S2/c14-8-4-6-9(7-5-8)17-13(19)18-12-10(24-23-22-15)2-1-3-11(12)25(16,20)21/h1-7H,15H2,(H2,16,20,21)(H2,17,18,19)