Chem
J-GLOBAL ID：200907047681285390   Nikkaji number：J2.706.361F

(2S)-1-Tosyl-2α-[2-oxo-2-(1-tosyl-1H-pyrrole-2-yl)ethyl]-5α-isopropylpyrrolidine

(2S)-1-トシル-2α-[2-オキソ-2-(1-トシル-1H-ピロール-2-イル)エチル]-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： C27H32N2O5S2
Molecular formula furigana： C27-H32-N2-O5-S2
Molecular weight： 528.680
InChI： InChI=1S/C27H32N2O5S2/c1-19(2)25-16-11-22(29(25)36(33,34)24-14-9-21(4)10-15-24)18-27(30)26-6-5-17-28(26)35(31,32)23-12-7-20(3)8-13-23/h5-10,12-15,17,19,22,25H,11,16,18H2,1-4H3/t22-,25+/m0/s1
InChI key： PVLXAFUHJSQBRS-WIOPSUGQSA-N
SMILES： CC(C)[C@H]1CC[C@@H](CC(=O)c2cccn2S(=O)(=O)c2ccc(C)cc2)N1S(=O)(=O)c1ccc(C)cc1
Systematic name  (3)：
  • (2S)-1-トシル-2α-[2-オキソ-2-(1-トシル-1H-ピロール-2-イル)エチル]-5α-イソプロピルピロリジン
  • 1-[1-(4-メチルベンゼンスルホニル)-1H-ピロール-2-イル]-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-[1-(4-methylbenzenesulfonyl)-1H-pyrrol-2-yl]-2-[(2S,5R)-1-(4-methylbenzenesulfonyl)-5-(propan-2-yl)pyrrolidin-2-yl]ethan-1-one
Other name (1)：
  • (2S)-1-Tosyl-2α-[2-oxo-2-(1-tosyl-1H-pyrrole-2-yl)ethyl]-5α-isopropylpyrrolidine
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