Chem
J-GLOBAL ID:200907026421674808   Nikkaji number:J574.734A

(3aR,3aα,6α,7aβ)-1-[[(2R)-1-Benzyl-4-(methoxycarbonyl)-2-pyrrolidinyl]carbonyl]-8,8-dimethyl-3a,6-methanooctahydro-2,1-benzisothiazole 2,2-dioxide

(3aR,3aα,6α,7aβ)-1-[[(2R)-1-ベンジル-4-(メトキシカルボニル)-2-ピロリジニル]カルボニル]-8,8-ジメチル-3a,6-メタノオクタヒドロ-2,1-ベンゾイソチアゾール2,2-ジオキシド
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: C24H32N2O3[O-]2[S+2]
Molecular formula furigana: C24-H32-N2-O5-S
Molecular weight: 460.590
InChI: InChI=1S/C24H32N2O5S/c1-23(2)18-9-10-24(23)15-32(29,30)26(20(24)12-18)21(27)19-11-17(22(28)31-3)14-25(19)13-16-7-5-4-6-8-16/h4-8,17-20H,9-15H2,1-3H3/t17?,18-,19+,20-,24-/m0/s1
InChI key: ZKAIPRXIGNLAJI-MHYYCRKRSA-N
SMILES: COC(=O)C1C[C@@H](N(Cc2ccccc2)C1)C(=O)N1[C@H]2C[C@@H]3CC[C@@]2(C[S+2]1([O-])[O-])C3(C)C
Systematic name  (4):
  • (3aR)-1-[[(2R)-1-ベンジル-4-(メトキシカルボニル)-2β-ピロリジニル]カルボニル]-8,8-ジメチル-1,3,4,5,7,7aβ-ヘキサヒドロ-6H-3aα,6α-メタノ-2,1-ベンゾイソチアゾール2,2-ジオキシド
  • (3aR,3aα,6α,7aβ)-1-[[(2R)-1-ベンジル-4-(メトキシカルボニル)-2-ピロリジニル]カルボニル]-8,8-ジメチル-3a,6-メタノオクタヒドロ-2,1-ベンゾイソチアゾール2,2-ジオキシド
  • (1R,5S,7S)-4-[(2R)-1-ベンジル-4-(メトキシカルボニル)ピロリジン-2-カルボニル]-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,5S,7S)-4-[(2R)-1-benzyl-4-(methoxycarbonyl)pyrrolidine-2-carbonyl]-10,10-dimethyl-3-thia-4-azatricyclo[5.2.1.01,5]decane-3,3-diium-3,3-bis(olate)
Other name (2):
  • (3aR)-1-[[(2R)-1-Benzyl-4-(methoxycarbonyl)-2β-pyrrolidinyl]carbonyl]-8,8-dimethyl-1,3,4,5,7,7aβ-hexahydro-6H-3aα,6α-methano-2,1-benzisothiazole 2,2-dioxide
  • (3aR,3aα,6α,7aβ)-1-[[(2R)-1-Benzyl-4-(methoxycarbonyl)-2-pyrrolidinyl]carbonyl]-8,8-dimethyl-3a,6-methanooctahydro-2,1-benzisothiazole 2,2-dioxide
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