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

Systemtic Name: 3-bromanyl-N-[2-methyl-4-(trioxidanylsulfanyl)phenyl]propanamide Openeye Name: 3-bromo-N-[2-methyl-4-(trioxidanylsulfanyl)phenyl]propanamide CAS Name: 4-[(3-bromo-1-oxopropyl)amino]-3-methylbenzenesulfenic acid hydroperoxy ester IUPAC Name: 3-bromo-N-[2-methyl-4-(trioxidanylsulfanyl)phenyl]propanamide Traditional Name: 3-bromo-N-[2-methyl-4-(trioxidanylthio)phenyl]propionamide Formula: C10H12BrNO4S MolecularWeight: 322.17558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12BrNO4S/c1-7-6-8(17-16-15-14)2-3-9(7)12-10(13)4-5-11/h2-3,6,14H,4-5H2,1H3,(H,12,13)