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

Systemtic Name: (5R)-5-phenylmethoxy-1-[(3S)-3-phenyl-3-phenylsulfanyl-propyl]azepan-2-one Openeye Name: (5R)-5-benzyloxy-1-[(3S)-3-phenyl-3-phenylsulfanyl-propyl]azepan-2-one CAS Name: (5R)-5-phenylmethoxy-1-[(3S)-3-phenyl-3-(phenylthio)propyl]-2-azepanone IUPAC Name: (5R)-5-phenylmethoxy-1-[(3S)-3-phenyl-3-phenylsulfanylpropyl]azepan-2-one Traditional Name: (5R)-5-benzoxy-1-[(3S)-3-phenyl-3-(phenylthio)propyl]azepan-2-one Formula: C28H31NO2S MolecularWeight: 445.61624

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CCC1OCC2=CC=CC=C2)CCC(C3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1CC(=O)N(CC[C@@H]1OCC2=CC=CC=C2)CC[C@@H](C3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C28H31NO2S/c30-28-17-16-25(31-22-23-10-4-1-5-11-23)18-20-29(28)21-19-27(24-12-6-2-7-13-24)32-26-14-8-3-9-15-26/h1-15,25,27H,16-22H2/t25-,27+/m1/s1