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

Systemtic Name: (5R)-5-oxidanyl-1-[(3S)-3-phenyl-3-phenylsulfanyl-propyl]azepan-2-one Openeye Name: (5R)-5-hydroxy-1-[(3S)-3-phenyl-3-phenylsulfanyl-propyl]azepan-2-one CAS Name: (5R)-5-hydroxy-1-[(3S)-3-phenyl-3-(phenylthio)propyl]-2-azepanone IUPAC Name: (5R)-5-hydroxy-1-[(3S)-3-phenyl-3-phenylsulfanylpropyl]azepan-2-one Traditional Name: (5R)-5-hydroxy-1-[(3S)-3-phenyl-3-(phenylthio)propyl]azepan-2-one Formula: C21H25NO2S MolecularWeight: 355.4937

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CCC1O)CCC(C2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

C1CC(=O)N(CC[C@@H]1O)CC[C@@H](C2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C21H25NO2S/c23-18-11-12-21(24)22(15-13-18)16-14-20(17-7-3-1-4-8-17)25-19-9-5-2-6-10-19/h1-10,18,20,23H,11-16H2/t18-,20+/m1/s1