3-bromanyl-N-[2,6-dimethyl-4-(trioxidanylsulfanyl)phenyl]propanamide

Systemtic Name: 3-bromanyl-N-[2,6-dimethyl-4-(trioxidanylsulfanyl)phenyl]propanamide Openeye Name: 3-bromo-N-[2,6-dimethyl-4-(trioxidanylsulfanyl)phenyl]propanamide CAS Name: 4-[(3-bromo-1-oxopropyl)amino]-3,5-dimethylbenzenesulfenic acid hydroperoxy ester IUPAC Name: 3-bromo-N-[2,6-dimethyl-4-(trioxidanylsulfanyl)phenyl]propanamide Traditional Name: 3-bromo-N-[2,6-dimethyl-4-(trioxidanylthio)phenyl]propionamide Formula: C11H14BrNO4S MolecularWeight: 336.20216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)CCBr)C)SOOO

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)CCBr)C)SOOO

InChI

InChI=1S/C11H14BrNO4S/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)