Chem
J-GLOBAL ID:200907049114762295   Nikkaji number:J1.522.452E

(2S,3S)-1,4-Bis(pentafluorophenylsulfonyl)-2,3-diphenylhexahydro-6H-1,4-diazepine-6-one

(2S,3S)-1,4-ビス(ペンタフルオロフェニルスルホニル)-2,3-ジフェニルヘキサヒドロ-6H-1,4-ジアゼピン-6-オン
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: C29H16F10N2O5S2
Molecular formula furigana: C29-H16-F10-N2-O5-S2
Molecular weight: 726.560
InChI: InChI=1S/C29H16F10N2O5S2/c30-16-18(32)22(36)28(23(37)19(16)33)47(43,44)40-11-15(42)12-41(48(45,46)29-24(38)20(34)17(31)21(35)25(29)39)27(14-9-5-2-6-10-14)26(40)13-7-3-1-4-8-13/h1-10,26-27H,11-12H2/t26-,27-/m0/s1
InChI key: JBKIUDSPZZLGQN-SVBPBHIXSA-N
SMILES: Fc1c(F)c(F)c(c(F)c1F)S(=O)(=O)N1CC(=O)CN([C@H]([C@@H]1c1ccccc1)c1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
Systematic name  (3):
  • (2S,3S)-1,4-ビス(ペンタフルオロフェニルスルホニル)-2,3-ジフェニルヘキサヒドロ-6H-1,4-ジアゼピン-6-オン
  • (2S,3S)-1,4-ビス(2,3,4,5,6-ペンタフルオロベンゼンスルホニル)-2,3-ジフェニル-1,4-ジアゼパン-6-オン
  • (2S,3S)-1,4-bis(2,3,4,5,6-pentafluorobenzenesulfonyl)-2,3-diphenyl-1,4-diazepan-6-one
Other name (1):
  • (2S,3S)-1,4-Bis(pentafluorophenylsulfonyl)-2,3-diphenylhexahydro-6H-1,4-diazepine-6-one
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