Chem
J-GLOBAL ID:200907097902688190   Nikkaji number:J2.437.082H

Trifluoromethanesulfonic acid 4-[2-[N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-N-(tert-butoxycarbonyl)amino]ethyl]phenyl ester

トリフルオロメタンスルホン酸=4′-(2-{N-[(2R)-2-(3-クロロフェニル)-2-ヒドロキシエチル]-N-(tert-ブトキシカルボニル)アミノ}エチル)フェニル-4-イル
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: C22H25ClF3NO6S
Molecular formula furigana: C22-H25-CL-F3-N-O6-S
Molecular weight: 523.950
InChI: InChI=1S/C22H25ClF3NO6S/c1-21(2,3)32-20(29)27(14-19(28)16-5-4-6-17(23)13-16)12-11-15-7-9-18(10-8-15)33-34(30,31)22(24,25)26/h4-10,13,19,28H,11-12,14H2,1-3H3/t19-/m0/s1
InChI key: LSTGTJAZSJKDDK-IBGZPJMESA-N
SMILES: CC(C)(C)OC(=O)N(CCc1ccc(OS(=O)(=O)C(F)(F)F)cc1)C[C@H](O)c1cccc(Cl)c1
Systematic name  (3):
  • トリフルオロメタンスルホン酸4-[2-[N-[(2R)-2-(3-クロロフェニル)-2-ヒドロキシエチル]-N-(tert-ブトキシカルボニル)アミノ]エチル]フェニル
  • tert-ブチル N-[(2R)-2-(3-クロロフェニル)-2-ヒドロキシエチル]-N-{2-[4-(トリフルオロメタンスルホニルオキシ)フェニル]エチル}カルバマート
  • tert-butyl N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-N-{2-[4-(trifluoromethanesulfonyloxy)phenyl]ethyl}carbamate
Other name (2):
  • Trifluoromethanesulfonic acid 4-[2-[N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-N-(tert-butoxycarbonyl)amino]ethyl]phenyl ester
  • トリフルオロメタンスルホン酸=4′-(2-{N-[(2R)-2-(3-クロロフェニル)-2-ヒドロキシエチル]-N-(tert-ブトキシカルボニル)アミノ}エチル)フェニル-4-イル
Regulation number (1):
  • 4-(6)-401
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