Chem
J-GLOBAL ID：200907052380797178   Nikkaji number：J882.243C

(7aR)-1-(2-Carboxybenzoyl)-3aβ,6β-methano-8,8-dimethyloctahydro-2,1-benzoisothiazole 2,2-dioxide

(3aS,7aα)-1-(2-カルボキシベンゾイル)-8,8-ジメチルヘキサヒドロ-3H-3aβ,6β-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： C18H21NO3[O-]2[S+2]
Molecular formula furigana： C18-H21-N-O5-S
Molecular weight： 363.430
InChI： InChI=1S/C18H21NO5S/c1-17(2)11-7-8-18(17)10-25(23,24)19(14(18)9-11)15(20)12-5-3-4-6-13(12)16(21)22/h3-6,11,14H,7-10H2,1-2H3,(H,21,22)/t11-,14-,18-/m1/s1
InChI key： UJCSAJNSMWSFHF-YRILPIOLSA-N
SMILES： CC1(C)[C@@H]2CC[C@@]31C[S+2]([O-])([O-])N([C@@H]3C2)C(=O)c1ccccc1C(=O)O
Systematic name  (4)：
  • 2-[[[(3aS,6R,7aR)-3,4,5,7-テトラヒドロ-6H-3aβ,6β-イソプロピリデン-2,1-ベンゾイソチアゾール2,2-ジオキシド]-1(7aαH)-イル]カルボニル]安息香酸
  • (7aR)-1-(2-カルボキシベンゾイル)-3aβ,6β-メタノ-8,8-ジメチルオクタヒドロ-2,1-ベンゾイソチアゾール2,2-ジオキシド
  • (1S,5R,7R)-4-(2-カルボキシベンゾイル)-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)
  • (1S,5R,7R)-4-(2-carboxybenzoyl)-10,10-dimethyl-3-thia-4-azatricyclo[5.2.1.01,5]decane-3,3-diium-3,3-bis(olate)
Other name (5)：
  • (3aS,7aα)-1-(2-Carboxybenzoyl)-8,8-dimethylhexahydro-3H-3aβ,6β-methano-2,1-benzisothiazole 2,2-dioxide
  • 2-[[[(3aS,6R,7aR)-3,4,5,7-Tetrahydro-6H-3aβ,6β-isopropylidene-2,1-benzisothiazole 2,2-dioxide]-1(7aαH)-yl]carbonyl]benzoic acid
  • (3aS,7aα)-1-(2-カルボキシベンゾイル)-8,8-ジメチルヘキサヒドロ-3H-3aβ,6β-メタノ-2,1-ベンゾイソチアゾール2,2-ジオキシド
  • 2-[[[(3aS,6R,7aR)-3,4,5,7-Tetrahydro-6H-3aβ,6β-isopropylidene-2,1-benzoisothiazole 2,2-dioxide]-1(7aαH)-yl]carbonyl]benzoic acid
  • (7aR)-1-(2-Carboxybenzoyl)-3aβ,6β-methano-8,8-dimethyloctahydro-2,1-benzoisothiazole 2,2-dioxide
Thsaurus map：
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