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

Systemtic Name: (5S)-1-[(2S)-1-(4-bromophenyl)sulfanyl-3-phenyl-propan-2-yl]-5-oxidanyl-azepan-2-one Openeye Name: (5S)-1-[(1S)-1-benzyl-2-(4-bromophenyl)sulfanyl-ethyl]-5-hydroxy-azepan-2-one CAS Name: (5S)-1-[(2S)-1-[(4-bromophenyl)thio]-3-phenylpropan-2-yl]-5-hydroxy-2-azepanone IUPAC Name: (5S)-1-[(2S)-1-(4-bromophenyl)sulfanyl-3-phenylpropan-2-yl]-5-hydroxyazepan-2-one Traditional Name: (5S)-1-[(1S)-1-benzyl-2-[(4-bromophenyl)thio]ethyl]-5-hydroxy-azepan-2-one Formula: C21H24BrNO2S MolecularWeight: 434.38976

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CCC1O)C(CC2=CC=CC=C2)CSC3=CC=C(C=C3)Br

Isomeric SMILES

C1CC(=O)N(CC[C@H]1O)[C@@H](CC2=CC=CC=C2)CSC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H24BrNO2S/c22-17-6-9-20(10-7-17)26-15-18(14-16-4-2-1-3-5-16)23-13-12-19(24)8-11-21(23)25/h1-7,9-10,18-19,24H,8,11-15H2/t18-,19-/m0/s1