sodium 3-bromanyl-N-(2,6-dimethyl-4-oxidanidylperoxysulfanyl-phenyl)propanamide

Systemtic Name: sodium 3-bromanyl-N-(2,6-dimethyl-4-oxidanidylperoxysulfanyl-phenyl)propanamide Openeye Name: sodium 3-bromo-N-(2,6-dimethyl-4-oxidoperoxysulfanyl-phenyl)propanamide CAS Name: sodium 4-[(3-bromo-1-oxopropyl)amino]-3,5-dimethylbenzenesulfenic acid oxidooxy ester IUPAC Name: sodium 3-bromo-N-(2,6-dimethyl-4-oxidoperoxysulfanylphenyl)propanamide Traditional Name: sodium 3-bromo-N-[2,6-dimethyl-4-(oxidoperoxythio)phenyl]propionamide Formula: C11H13BrNNaO4S MolecularWeight: 358.18399

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)CCBr)C)SOO[O-].[Na+]

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)CCBr)C)SOO[O-].[Na+]

InChI

InChI=1S/C11H14BrNO4S.Na/c1-7-5-9(18-17-16-15)6-8(2)11(7)13-10(14)3-4-12;/h5-6,15H,3-4H2,1-2H3,(H,13,14);/q;+1/p-1