Chem
J-GLOBAL ID：200907052199753606   Nikkaji number：J1.271.978G

(3S)-3β-(Methylsulfonyloxymethyl)-4α-(4-fluorophenyl)piperidine-1-carboxylic acid tert-butyl ester

(3S)-3β-(メチルスルホニルオキシメチル)-4α-(4-フルオロフェニル)ピペリジン-1-カルボン酸tert-ブチル
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： C18H26FNO5S
Molecular formula furigana： C18-H26-F-N-O5-S
Molecular weight： 387.470
InChI： InChI=1S/C18H26FNO5S/c1-18(2,3)25-17(21)20-10-9-16(13-5-7-15(19)8-6-13)14(11-20)12-24-26(4,22)23/h5-8,14,16H,9-12H2,1-4H3/t14-,16-/m0/s1
InChI key： NCJFSYKSJPMMLI-HOCLYGCPSA-N
SMILES： CC(C)(C)OC(=O)N1CC[C@H]([C@H](COS(=O)(=O)C)C1)c1ccc(F)cc1
Systematic name  (4)：
  • (3S)-3β-(メチルスルホニルオキシメチル)-4α-(4-フルオロフェニル)ピペリジン-1-カルボン酸tert-ブチル
  • (3S,4R)-4-(4-フルオロフェニル)-3-(メチルスルホニルオキシメチル)-1-ピペリジンカルボン酸tert-ブチル
  • tert-ブチル (3S,4R)-4-(4-フルオロフェニル)-3-[(メタンスルホニルオキシ)メチル]ピペリジン-1-カルボキシラート
  • tert-butyl (3S,4R)-4-(4-fluorophenyl)-3-[(methanesulfonyloxy)methyl]piperidine-1-carboxylate
Other name (2)：
  • (3S)-3β-(Methylsulfonyloxymethyl)-4α-(4-fluorophenyl)piperidine-1-carboxylic acid tert-butyl ester
  • (3S,4R)-4-(4-Fluorophenyl)-3-(methylsulfonyloxymethyl)-1-piperidinecarboxylic acid tert-butyl ester
Regulation number (1)：
  • 8-(1)-2625
Thsaurus map：
Thesaurus Map

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