Chem
J-GLOBAL ID：201107044658420840
Nikkaji number：J2.940.950A
(2S)-1-(Phenylsulfonyl)-2β-[4-(benzyloxy)benzyl]hexahydro-1H-azepine-3-one
(2S)-1-(ベンゼンスルホニル)-2-{[4-(ベンジルオキシ)フェニル]メチル}アゼパン-3-オン
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C26H27NO4S
Molecular formula furigana： C26-H27-N-O4-S
Molecular weight： 449.570
InChI：
InChI=1S/C26H27NO4S/c28-26-13-7-8-18-27(32(29,30)24-11-5-2-6-12-24)25(26)19-21-14-16-23(17-15-21)31-20-22-9-3-1-4-10-22/h1-6,9-12,14-17,25H,7-8,13,18-20H2/t25-/m0/s1
InChI key：
XVICGNKHRKMVEW-VWLOTQADSA-N
SMILES：
O=C1CCCCN([C@H]1Cc1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccccc1
Systematic name (3)：
- (2S)-1-(フェニルスルホニル)-2β-[4-(ベンジルオキシ)ベンジル]ヘキサヒドロ-1H-アゼピン-3-オン
- (2S)-1-(ベンゼンスルホニル)-2-{[4-(ベンジルオキシ)フェニル]メチル}アゼパン-3-オン
- (2S)-1-(benzenesulfonyl)-2-{[4-(benzyloxy)phenyl]methyl}azepan-3-one
- (2S)-1-(Phenylsulfonyl)-2β-[4-(benzyloxy)benzyl]hexahydro-1H-azepine-3-one
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