Chem
J-GLOBAL ID：200907036338451312   Nikkaji number：J1.428.270J

(2Z,4S)-4-[(2,4,6-Trimethylphenylsulfonyl)amino]-5-methyl-2-hexenoic acid ethyl ester

(2Z,4S)-4-[(2,4,6-トリメチルフェニルスルホニル)アミノ]-5-メチル-2-ヘキセン酸エチル
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： C18H27NO4S
Molecular formula furigana： C18-H27-N-O4-S
Molecular weight： 353.480
InChI： InChI=1S/C18H27NO4S/c1-7-23-17(20)9-8-16(12(2)3)19-24(21,22)18-14(5)10-13(4)11-15(18)6/h8-12,16,19H,7H2,1-6H3/b9-8-/t16-/m1/s1
InChI key： NNKLILMKHVQJEH-HLRDLLSLSA-N
SMILES： CCOC(=O)/C=C\[C@@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(C)C
Systematic name  (3)：
  • (2Z,4S)-4-[(2,4,6-トリメチルフェニルスルホニル)アミノ]-5-メチル-2-ヘキセン酸エチル
  • エチル (2Z,4S)-5-メチル-4-(2,4,6-トリメチルベンゼンスルホンアミド)ヘキサ-2-エノアート
  • ethyl (2Z,4S)-5-methyl-4-(2,4,6-trimethylbenzenesulfonamido)hex-2-enoate
Other name (1)：
  • (2Z,4S)-4-[(2,4,6-Trimethylphenylsulfonyl)amino]-5-methyl-2-hexenoic acid ethyl ester
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