Chem
J-GLOBAL ID:200907099027171172   Nikkaji number:J2.246.090K

(3aS)-2-Tosyl-3a-methyl-7-phenyl-5,6-bis(methoxymethyl)-1,3,3a,4-tetrahydro-2H-isoindole

(3aS)-2-トシル-3a-メチル-7-フェニル-5,6-ビス(メトキシメチル)-1,3,3a,4-テトラヒドロ-2H-イソインドール
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: C26H31NO4S
Molecular formula furigana: C26-H31-N-O4-S
Molecular weight: 453.600
InChI: InChI=1S/C26H31NO4S/c1-19-10-12-22(13-11-19)32(28,29)27-15-24-25(20-8-6-5-7-9-20)23(17-31-4)21(16-30-3)14-26(24,2)18-27/h5-13H,14-18H2,1-4H3/t26-/m1/s1
InChI key: OBBNBYNYSNSGFH-AREMUKBSSA-N
SMILES: COCC1=C(COC)C(=C2CN(C[C@@]2(C)C1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1
Systematic name  (3):
  • (3aS)-2-トシル-3a-メチル-7-フェニル-5,6-ビス(メトキシメチル)-1,3,3a,4-テトラヒドロ-2H-イソインドール
  • (3aS)-5,6-ビス(メトキシメチル)-3a-メチル-2-(4-メチルベンゼンスルホニル)-7-フェニル-2,3,3a,4-テトラヒドロ-1H-イソインドール
  • (3aS)-5,6-bis(methoxymethyl)-3a-methyl-2-(4-methylbenzenesulfonyl)-7-phenyl-2,3,3a,4-tetrahydro-1H-isoindole
Other name (1):
  • (3aS)-2-Tosyl-3a-methyl-7-phenyl-5,6-bis(methoxymethyl)-1,3,3a,4-tetrahydro-2H-isoindole
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