Chem
J-GLOBAL ID：200907004480403709   Nikkaji number：J2.496.254G

α-[(3S)-1-Tosyl-4α-benzoyl-5β-[(E)-3,3-dimethyl-1-butenyl]piperidine-3β-yl]acetophenone

α-[(3S)-1-トシル-4α-ベンゾイル-5β-[(E)-3,3-ジメチル-1-ブテニル]ピペリジン-3β-イル]アセトフェノン
Substance type：
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
Molecular formula： C33H37NO4S
Molecular formula furigana： C33-H37-N-O4-S
Molecular weight： 543.720
InChI： InChI=1S/C33H37NO4S/c1-24-15-17-29(18-16-24)39(37,38)34-22-27(19-20-33(2,3)4)31(32(36)26-13-9-6-10-14-26)28(23-34)21-30(35)25-11-7-5-8-12-25/h5-20,27-28,31H,21-23H2,1-4H3/b20-19+/t27-,28+,31+/m0/s1
InChI key： BXZQESXZEVEOFT-IZOHHTJCSA-N
SMILES： Cc1ccc(cc1)S(=O)(=O)N1C[C@@H](CC(=O)c2ccccc2)[C@@H]([C@H](C1)/C=C/C(C)(C)C)C(=O)c1ccccc1
Systematic name  (3)：
  • α-[(3S)-1-トシル-4α-ベンゾイル-5β-[(E)-3,3-ジメチル-1-ブテニル]ピペリジン-3β-イル]アセトフェノン
  • 2-[(3S,4S,5R)-4-ベンゾイル-5-[(1E)-3,3-ジメチルブタ-1-エン-1-イル]-1-(4-メチルベンゼンスルホニル)ピペリジン-3-イル]-1-フェニルエタン-1-オン
  • 2-[(3S,4S,5R)-4-benzoyl-5-[(1E)-3,3-dimethylbut-1-en-1-yl]-1-(4-methylbenzenesulfonyl)piperidin-3-yl]-1-phenylethan-1-one
Other name (1)：
  • α-[(3S)-1-Tosyl-4α-benzoyl-5β-[(E)-3,3-dimethyl-1-butenyl]piperidine-3β-yl]acetophenone
Thsaurus map：
Thesaurus Map

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