Chem
J-GLOBAL ID：200907010999684780   Nikkaji number：J1.837.810H

1,5-Bis(p-toluenesulfonyl)-3-methylene-9-benzyl-1,5,9-triazacyclododecane

1,5-ビス(p-トルエンスルホニル)-3-メチレン-9-ベンジル-1,5,9-トリアザシクロドデカン
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： C31H39N3O4S2
Molecular formula furigana： C31-H39-N3-O4-S2
Molecular weight： 581.790
InChI： InChI=1S/C31H39N3O4S2/c1-26-11-15-30(16-12-26)39(35,36)33-21-7-19-32(25-29-9-5-4-6-10-29)20-8-22-34(24-28(3)23-33)40(37,38)31-17-13-27(2)14-18-31/h4-6,9-18H,3,7-8,19-25H2,1-2H3
InChI key： SRJIECKMPIRMJJ-UHFFFAOYSA-N
SMILES： Cc1ccc(cc1)S(=O)(=O)N1CCCN(Cc2ccccc2)CCCN(CC(=C)C1)S(=O)(=O)c1ccc(C)cc1
Systematic name  (3)：
  • 1,5-ビス(p-トルエンスルホニル)-3-メチレン-9-ベンジル-1,5,9-トリアザシクロドデカン
  • 9-ベンジル-1,5-ビス(4-メチルベンゼンスルホニル)-3-メチリデン-1,5,9-トリアザシクロドデカン
  • 9-benzyl-1,5-bis(4-methylbenzenesulfonyl)-3-methylidene-1,5,9-triazacyclododecane
Other name (1)：
  • 1,5-Bis(p-toluenesulfonyl)-3-methylene-9-benzyl-1,5,9-triazacyclododecane
Thsaurus map：
Thesaurus Map

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