sodium 3-bromanyl-N-(2,5-dimethyl-4-oxidanidylperoxysulfanyl-phenyl)propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1SOO[O-])C)NC(=O)CCBr.[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1SOO[O-])C)NC(=O)CCBr.[Na+]

InChI

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