(5R)-1-[(3S)-3-(4-methylphenyl)sulfanyl-3-phenyl-propyl]-5-oxidanyl-azepan-2-one

Systemtic Name: (5R)-1-[(3S)-3-(4-methylphenyl)sulfanyl-3-phenyl-propyl]-5-oxidanyl-azepan-2-one Openeye Name: (5R)-5-hydroxy-1-[(3S)-3-phenyl-3-(p-tolylsulfanyl)propyl]azepan-2-one CAS Name: (5R)-5-hydroxy-1-[(3S)-3-[(4-methylphenyl)thio]-3-phenylpropyl]-2-azepanone IUPAC Name: (5R)-5-hydroxy-1-[(3S)-3-(4-methylphenyl)sulfanyl-3-phenylpropyl]azepan-2-one Traditional Name: (5R)-5-hydroxy-1-[(3S)-3-phenyl-3-(p-tolylthio)propyl]azepan-2-one Formula: C22H27NO2S MolecularWeight: 369.52028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(CCN2CCC(CCC2=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S[C@@H](CCN2CC[C@@H](CCC2=O)O)C3=CC=CC=C3

InChI

InChI=1S/C22H27NO2S/c1-17-7-10-20(11-8-17)26-21(18-5-3-2-4-6-18)14-16-23-15-13-19(24)9-12-22(23)25/h2-8,10-11,19,21,24H,9,12-16H2,1H3/t19-,21+/m1/s1