(5S)-1-[(2S)-1-(4-methoxyphenyl)sulfanyl-3-phenyl-propan-2-yl]-5-oxidanyl-azepan-2-one

Systemtic Name: (5S)-1-[(2S)-1-(4-methoxyphenyl)sulfanyl-3-phenyl-propan-2-yl]-5-oxidanyl-azepan-2-one Openeye Name: (5S)-1-[(1S)-1-benzyl-2-(4-methoxyphenyl)sulfanyl-ethyl]-5-hydroxy-azepan-2-one CAS Name: (5S)-5-hydroxy-1-[(2S)-1-[(4-methoxyphenyl)thio]-3-phenylpropan-2-yl]-2-azepanone IUPAC Name: (5S)-5-hydroxy-1-[(2S)-1-(4-methoxyphenyl)sulfanyl-3-phenylpropan-2-yl]azepan-2-one Traditional Name: (5S)-1-[(1S)-1-benzyl-2-[(4-methoxyphenyl)thio]ethyl]-5-hydroxy-azepan-2-one Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC(CC2=CC=CC=C2)N3CCC(CCC3=O)O

Isomeric SMILES

COC1=CC=C(C=C1)SC[C@H](CC2=CC=CC=C2)N3CC[C@H](CCC3=O)O

InChI

InChI=1S/C22H27NO3S/c1-26-20-8-10-21(11-9-20)27-16-18(15-17-5-3-2-4-6-17)23-14-13-19(24)7-12-22(23)25/h2-6,8-11,18-19,24H,7,12-16H2,1H3/t18-,19-/m0/s1