(5R)-1-[(2R)-3-(4-bromophenyl)sulfanyl-2-methyl-propyl]-5-oxidanyl-azepan-2-one

Systemtic Name: (5R)-1-[(2R)-3-(4-bromophenyl)sulfanyl-2-methyl-propyl]-5-oxidanyl-azepan-2-one Openeye Name: (5R)-1-[(2R)-3-(4-bromophenyl)sulfanyl-2-methyl-propyl]-5-hydroxy-azepan-2-one CAS Name: (5R)-1-[(2R)-3-[(4-bromophenyl)thio]-2-methylpropyl]-5-hydroxy-2-azepanone IUPAC Name: (5R)-1-[(2R)-3-(4-bromophenyl)sulfanyl-2-methylpropyl]-5-hydroxyazepan-2-one Traditional Name: (5R)-1-[(2R)-3-[(4-bromophenyl)thio]-2-methyl-propyl]-5-hydroxy-azepan-2-one Formula: C16H22BrNO2S MolecularWeight: 372.32038

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCC(CCC1=O)O)CSC2=CC=C(C=C2)Br

Isomeric SMILES

C[C@H](CN1CC[C@@H](CCC1=O)O)CSC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H22BrNO2S/c1-12(11-21-15-5-2-13(17)3-6-15)10-18-9-8-14(19)4-7-16(18)20/h2-3,5-6,12,14,19H,4,7-11H2,1H3/t12-,14-/m1/s1