3-bromanyl-2-methyl-N-[3-methyl-4-(trioxidanylsulfanyl)phenyl]propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C(C)CBr)SOOO

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C(C)CBr)SOOO

InChI

InChI=1S/C11H14BrNO4S/c1-7-5-9(13-11(14)8(2)6-12)3-4-10(7)18-17-16-15/h3-5,8,15H,6H2,1-2H3,(H,13,14)