Chem
J-GLOBAL ID：201807009711199885   Nikkaji number：J3.698.045A

Benzoic acid (1-tosyl-3-propargyl-5-methylpyrrolidine-3-yl)methyl ester

安息香酸(1-トシル-3-プロパルギル-5-メチルピロリジン-3-イル)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： C23H25NO4S
Molecular formula furigana： C23-H25-N-O4-S
Molecular weight： 411.520
InChI： InChI=1S/C23H25NO4S/c1-4-14-23(17-28-22(25)20-8-6-5-7-9-20)15-19(3)24(16-23)29(26,27)21-12-10-18(2)11-13-21/h1,5-13,19H,14-17H2,2-3H3
InChI key： VNOQEKXIHHSKPV-UHFFFAOYSA-N
SMILES： CC1CC(COC(=O)c2ccccc2)(CC#C)CN1S(=O)(=O)c1ccc(C)cc1
Systematic name  (3)：
  • 安息香酸(1-トシル-3-プロパルギル-5-メチルピロリジン-3-イル)メチル
  • [5-メチル-1-(4-メチルベンゼンスルホニル)-3-(プロパ-2-イン-1-イル)ピロリジン-3-イル]メチル ベンゾアート
  • [5-methyl-1-(4-methylbenzenesulfonyl)-3-(prop-2-yn-1-yl)pyrrolidin-3-yl]methyl benzoate
Other name (1)：
  • Benzoic acid (1-tosyl-3-propargyl-5-methylpyrrolidine-3-yl)methyl ester
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