Chem
J-GLOBAL ID：200907064134329139   Nikkaji number：J2.706.357H

(2S)-1-Tosyl-2α-(β-oxo-2,4-dimethoxyphenethyl)-5α-isopropylpyrrolidine

(2S)-1-トシル-2α-(β-オキソ-2,4-ジメトキシフェネチル)-5α-イソプロピルピロリジン
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： C24H31NO5S
Molecular formula furigana： C24-H31-N-O5-S
Molecular weight： 445.570
InChI： InChI=1S/C24H31NO5S/c1-16(2)22-13-8-18(25(22)31(27,28)20-10-6-17(3)7-11-20)14-23(26)21-12-9-19(29-4)15-24(21)30-5/h6-7,9-12,15-16,18,22H,8,13-14H2,1-5H3/t18-,22+/m0/s1
InChI key： WRVAUOJMDDMAQQ-PGRDOPGGSA-N
SMILES： COc1ccc(C(=O)C[C@@H]2CC[C@H](C(C)C)N2S(=O)(=O)c2ccc(C)cc2)c(OC)c1
Systematic name  (3)：
  • (2S)-1-トシル-2α-(β-オキソ-2,4-ジメトキシフェネチル)-5α-イソプロピルピロリジン
  • 1-(2,4-ジメトキシフェニル)-2-[(2S,5R)-1-(4-メチルベンゼンスルホニル)-5-(プロパン-2-イル)ピロリジン-2-イル]エタン-1-オン
  • 1-(2,4-dimethoxyphenyl)-2-[(2S,5R)-1-(4-methylbenzenesulfonyl)-5-(propan-2-yl)pyrrolidin-2-yl]ethan-1-one
Other name (1)：
  • (2S)-1-Tosyl-2α-(β-oxo-2,4-dimethoxyphenethyl)-5α-isopropylpyrrolidine
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