(3R,4S)-N-methyl-3-(4-methylphenyl)sulfanyl-4-oxidanyl-octanamide

Systemtic Name: (3R,4S)-N-methyl-3-(4-methylphenyl)sulfanyl-4-oxidanyl-octanamide Openeye Name: (3R,4S)-4-hydroxy-N-methyl-3-(p-tolylsulfanyl)octanamide CAS Name: (3R,4S)-4-hydroxy-N-methyl-3-[(4-methylphenyl)thio]octanamide IUPAC Name: (3R,4S)-4-hydroxy-N-methyl-3-(4-methylphenyl)sulfanyloctanamide Traditional Name: (3R,4S)-4-hydroxy-N-methyl-3-(p-tolylthio)caprylamide Formula: C16H25NO2S MolecularWeight: 295.4402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CC(=O)NC)SC1=CC=C(C=C1)C)O

Isomeric SMILES

CCCC[C@@H]([C@@H](CC(=O)NC)SC1=CC=C(C=C1)C)O

InChI

InChI=1S/C16H25NO2S/c1-4-5-6-14(18)15(11-16(19)17-3)20-13-9-7-12(2)8-10-13/h7-10,14-15,18H,4-6,11H2,1-3H3,(H,17,19)/t14-,15+/m0/s1