(5S)-1-[2-(4-bromophenyl)sulfanylethyl]-5-oxidanyl-azepan-2-one

Systemtic Name: (5S)-1-[2-(4-bromophenyl)sulfanylethyl]-5-oxidanyl-azepan-2-one Openeye Name: (5S)-1-[2-(4-bromophenyl)sulfanylethyl]-5-hydroxy-azepan-2-one CAS Name: (5S)-1-[2-[(4-bromophenyl)thio]ethyl]-5-hydroxy-2-azepanone IUPAC Name: (5S)-1-[2-(4-bromophenyl)sulfanylethyl]-5-hydroxyazepan-2-one Traditional Name: (5S)-1-[2-[(4-bromophenyl)thio]ethyl]-5-hydroxy-azepan-2-one Formula: C14H18BrNO2S MolecularWeight: 344.26722

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CCC1O)CCSC2=CC=C(C=C2)Br

Isomeric SMILES

C1CC(=O)N(CC[C@H]1O)CCSC2=CC=C(C=C2)Br

InChI

InChI=1S/C14H18BrNO2S/c15-11-1-4-13(5-2-11)19-10-9-16-8-7-12(17)3-6-14(16)18/h1-2,4-5,12,17H,3,6-10H2/t12-/m0/s1