Chem
J-GLOBAL ID:200907002540707025   Nikkaji number:J582.833C

(3aα,6α)-1-[(4-Methoxybenzyloxy)acetyl]hexahydro-8,8-dimethyl-3H-3a,6-methano-2,1-benzisothiazole 2,2-dioxide

(3aα,6α)-1-[(4-メトキシベンジルオキシ)アセチル]ヘキサヒドロ-8,8-ジメチル-3H-3a,6-メタノ-2,1-ベンゾイソチアゾール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: C20H27NO3[O-]2[S+2]
Molecular formula furigana: C20-H27-N-O5-S
Molecular weight: 393.500
InChI: InChI=1S/C20H27NO5S/c1-19(2)15-8-9-20(19)13-27(23,24)21(17(20)10-15)18(22)12-26-11-14-4-6-16(25-3)7-5-14/h4-7,15,17H,8-13H2,1-3H3/t15-,17?,20-/m0/s1
InChI key: ZBIMBNWZTASWBQ-NUSPTKLCSA-N
SMILES: COc1ccc(COCC(=O)N2C3C[C@@H]4CC[C@@]3(C[S+2]2([O-])[O-])C4(C)C)cc1
Systematic name  (3):
  • (3aα,6α)-1-[(4-メトキシベンジルオキシ)アセチル]ヘキサヒドロ-8,8-ジメチル-3H-3a,6-メタノ-2,1-ベンゾイソチアゾール2,2-ジオキシド
  • (1R,7S)-4-{2-[(4-メトキシフェニル)メトキシ]アセチル}-10,10-ジメチル-3-チア-4-アザトリシクロ[5.2.1.01,5]デカン-3,3-ジイウム-3,3-ビス(オラート)
  • (1R,7S)-4-{2-[(4-methoxyphenyl)methoxy]acetyl}-10,10-dimethyl-3-thia-4-azatricyclo[5.2.1.01,5]decane-3,3-diium-3,3-bis(olate)
Other name (1):
  • (3aα,6α)-1-[(4-Methoxybenzyloxy)acetyl]hexahydro-8,8-dimethyl-3H-3a,6-methano-2,1-benzisothiazole 2,2-dioxide
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