N-[4-[2-[(5S)-5-oxidanyl-2-oxidanylidene-azepan-1-yl]ethylsulfanyl]phenyl]ethanamide

Systemtic Name: N-[4-[2-[(5S)-5-oxidanyl-2-oxidanylidene-azepan-1-yl]ethylsulfanyl]phenyl]ethanamide Openeye Name: N-[4-[2-[(5S)-5-hydroxy-2-oxo-azepan-1-yl]ethylsulfanyl]phenyl]acetamide CAS Name: N-[4-[2-[(5S)-5-hydroxy-2-oxo-1-azepanyl]ethylthio]phenyl]acetamide IUPAC Name: N-[4-[2-[(5S)-5-hydroxy-2-oxoazepan-1-yl]ethylsulfanyl]phenyl]acetamide Traditional Name: N-[4-[2-[(5S)-5-hydroxy-2-keto-azepan-1-yl]ethylthio]phenyl]acetamide Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCCN2CCC(CCC2=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCCN2CC[C@H](CCC2=O)O

InChI

InChI=1S/C16H22N2O3S/c1-12(19)17-13-2-5-15(6-3-13)22-11-10-18-9-8-14(20)4-7-16(18)21/h2-3,5-6,14,20H,4,7-11H2,1H3,(H,17,19)/t14-/m0/s1