Chem
J-GLOBAL ID：200907048109286888   Nikkaji number：J1.087.375D

7-[[2-[2,2-Dioxo-2-thia(VI)-1,5,7-triazabicyclo[3.3.1]nonane-7-yl]ethyl]sulfonyl]-2-thia-1,5,7-triazabicyclo[3.3.1]nonane2,2-dioxide

7-[[2-[2,2-ジオキソ-2-チア(VI)-1,5,7-トリアザビシクロ[3.3.1]ノナン-7-イル]エチル]スルホニル]-2-チア-1,5,7-トリアザビシクロ[3.3.1]ノナン2,2-ジオキシド
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： C12H24N6O4[O-]2S2[S+2]
Molecular formula furigana： C12-H24-N6-O6-S3
Molecular weight： 444.540
InChI： InChI=1S/C12H24N6O6S3/c19-25(20)4-1-13-7-14(9-16(25)8-13)2-5-26(21,22)17-10-15-3-6-27(23,24)18(11-15)12-17/h1-12H2
InChI key： SWPYWSHEPCPGKM-UHFFFAOYSA-N
SMILES： [O-][S+2]1([O-])CCN2CN1CN(C2)S(=O)(=O)CCN1CN2CCS(=O)(=O)N(C1)C2
Systematic name  (3)：
  • 7-[[2-[2,2-ジオキソ-2-チア(VI)-1,5,7-トリアザビシクロ[3.3.1]ノナン-7-イル]エチル]スルホニル]-2-チア-1,5,7-トリアザビシクロ[3.3.1]ノナン2,2-ジオキシド
  • 7-(2-{2,2-ジオキソ-2λ6-チア-1,5,7-トリアザビシクロ[3.3.1]ノナン-7-イル}エタンスルホニル)-2-チア-1,5,7-トリアザビシクロ[3.3.1]ノナン-2,2-ジイウム-2,2-ビス(オラート)
  • 7-(2-{2,2-dioxo-2λ6-thia-1,5,7-triazabicyclo[3.3.1]nonan-7-yl}ethanesulfonyl)-2-thia-1,5,7-triazabicyclo[3.3.1]nonane-2,2-diium-2,2-bis(olate)
Other name (1)：
  • 7-[[2-[2,2-Dioxo-2-thia(VI)-1,5,7-triazabicyclo[3.3.1]nonane-7-yl]ethyl]sulfonyl]-2-thia-1,5,7-triazabicyclo[3.3.1]nonane2,2-dioxide
Thsaurus map：
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