Chem
J-GLOBAL ID:200907051772912823   Nikkaji number:J1.749.945I

(2R,3R)-2-(tert-Butylsulfonyl)-3-[(4-chlorophenyl)amino]-4,4,4-trifluorobutanoic acid tert-butyl ester

(2R,3R)-2-(tert-ブチルスルホニル)-3-[(4-クロロフェニル)アミノ]-4,4,4-トリフルオロブタン酸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: C18H25ClF3NO4S
Molecular formula furigana: C18-H25-CL-F3-N-O4-S
Molecular weight: 443.910
InChI: InChI=1S/C18H25ClF3NO4S/c1-16(2,3)27-15(24)13(28(25,26)17(4,5)6)14(18(20,21)22)23-12-9-7-11(19)8-10-12/h7-10,13-14,23H,1-6H3/t13-,14+/m1/s1
InChI key: FDXQXPXHWDXEIQ-KGLIPLIRSA-N
SMILES: CC(C)(C)OC(=O)[C@@H]([C@H](Nc1ccc(Cl)cc1)C(F)(F)F)S(=O)(=O)C(C)(C)C
Systematic name  (3):
  • (2R,3R)-2-(tert-ブチルスルホニル)-3-[(4-クロロフェニル)アミノ]-4,4,4-トリフルオロブタン酸tert-ブチル
  • tert-ブチル (2R,3R)-3-[(4-クロロフェニル)アミノ]-4,4,4-トリフルオロ-2-(2-メチルプロパン-2-スルホニル)ブタノアート
  • tert-butyl (2R,3R)-3-[(4-chlorophenyl)amino]-4,4,4-trifluoro-2-(2-methylpropane-2-sulfonyl)butanoate
Other name (1):
  • (2R,3R)-2-(tert-Butylsulfonyl)-3-[(4-chlorophenyl)amino]-4,4,4-trifluorobutanoic acid tert-butyl ester
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