Chem
J-GLOBAL ID:200907049484979870   Nikkaji number:J2.554.900G

(S)-2-Hydroxy-3-[[4-[4-(trifluoromethyl)phenoxy]phenyl](methylsulfonyl)amino]propanoic acid methyl ester

(S)-2-ヒドロキシ-3-[[4-[4-(トリフルオロメチル)フェノキシ]フェニル](メチルスルホニル)アミノ]プロパン酸メチル
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: C18H18F3NO6S
Molecular formula furigana: C18-H18-F3-N-O6-S
Molecular weight: 433.400
InChI: InChI=1S/C18H18F3NO6S/c1-27-17(24)16(23)11-22(29(2,25)26)13-5-9-15(10-6-13)28-14-7-3-12(4-8-14)18(19,20)21/h3-10,16,23H,11H2,1-2H3/t16-/m0/s1
InChI key: NSPSUHNRSDCIIJ-INIZCTEOSA-N
SMILES: COC(=O)[C@@H](O)CN(c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1)S(=O)(=O)C
Systematic name  (3):
  • (S)-2-ヒドロキシ-3-[[4-[4-(トリフルオロメチル)フェノキシ]フェニル](メチルスルホニル)アミノ]プロパン酸メチル
  • メチル (2S)-2-ヒドロキシ-3-(N-{4-[4-(トリフルオロメチル)フェノキシ]フェニル}メタンスルホンアミド)プロパノアート
  • methyl (2S)-2-hydroxy-3-(N-{4-[4-(trifluoromethyl)phenoxy]phenyl}methanesulfonamido)propanoate
Other name (1):
  • (S)-2-Hydroxy-3-[[4-[4-(trifluoromethyl)phenoxy]phenyl](methylsulfonyl)amino]propanoic acid methyl ester
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