Chem
J-GLOBAL ID:200907051674022380   Nikkaji number:J2.307.246G

(4S,5S)-2-(2-Bromobenzyl)-4,5-(isopropylidenedioxy)-7-benzylhexahydro-1,2,7-thiadiazepine 1,1-dioxide

(4S,5S)-2-(2-ブロモベンジル)-4,5-(イソプロピリデンジオキシ)-7-ベンジルヘキサヒドロ-1,2,7-チアジアゼピン1,1-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: C21H25BrN2O2[O-]2[S+2]
Molecular formula furigana: C21-H25-BR-N2-O4-S
Molecular weight: 481.410
InChI: InChI=1S/C21H25BrN2O4S/c1-21(2)27-19-14-23(12-16-8-4-3-5-9-16)29(25,26)24(15-20(19)28-21)13-17-10-6-7-11-18(17)22/h3-11,19-20H,12-15H2,1-2H3/t19-,20-/m0/s1
InChI key: MMQIHQBHMOAHIO-PMACEKPBSA-N
SMILES: CC1(C)O[C@H]2CN(Cc3ccccc3)[S+2]([O-])([O-])N(Cc3ccccc3Br)C[C@@H]2O1
Systematic name  (3):
  • (4S,5S)-2-(2-ブロモベンジル)-4,5-(イソプロピリデンジオキシ)-7-ベンジルヘキサヒドロ-1,2,7-チアジアゼピン1,1-ジオキシド
  • (3aS,8aS)-5-ベンジル-7-[(2-ブロモフェニル)メチル]-2,2-ジメチル-オクタヒドロ-[1,3]ジオキソロ[4,5-d][1,2,7]チアジアゼピン-6,6-ジイウム-6,6-ビス(オラート)
  • (3aS,8aS)-5-benzyl-7-[(2-bromophenyl)methyl]-2,2-dimethyl-octahydro-[1,3]dioxolo[4,5-d][1,2,7]thiadiazepine-6,6-diium-6,6-bis(olate)
Other name (1):
  • (4S,5S)-2-(2-Bromobenzyl)-4,5-(isopropylidenedioxy)-7-benzylhexahydro-1,2,7-thiadiazepine 1,1-dioxide
Thsaurus map:

Return to Previous Page