Chem
J-GLOBAL ID：200907098627352859   Nikkaji number：J758.771F

(+)-Chromanol 293B

(+)-クロマノール293B
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： C15H20N2O4S
Molecular formula furigana： C15-H20-N2-O4-S
Molecular weight： 324.400
InChI： InChI=1S/C15H20N2O4S/c1-5-22(19,20)17(4)13-11-8-10(9-16)6-7-12(11)21-15(2,3)14(13)18/h6-8,13-14,18H,5H2,1-4H3/t13-,14+/m1/s1
InChI key： HVSJHHXUORMCGK-KGLIPLIRSA-N
SMILES： CCS(=O)(=O)N(C)[C@H]1[C@H](O)C(C)(C)Oc2ccc(cc12)C#N
Systematic name  (7)：
  • (3S,4R)-3,4-ジヒドロ-2,2-ジメチル-3-ヒドロキシ-4-[メチル(エチルスルホニル)アミノ]-2H-1-ベンゾピラン-6-カルボニトリル
  • 3,4-ジヒドロ-2,2-ジメチル-3β-ヒドロキシ-4α-[メチル(エチルスルホニル)アミノ]-2H-1-ベンゾピラン-6-カルボニトリル
  • 4α-(N-エチルスルホニル-N-メチルアミノ)-3β-ヒドロキシ-2,2-ジメチルクロマン-6-カルボニトリル
  • (3S,4R)-6-シアノ-4-(N-メチルエチルスルホニルアミノ)-2,2-ジメチル-3,4-ジヒドロ-2H-1-ベンゾピラン-3-オール
  • (3S)-2,2-ジメチル-3β-ヒドロキシ-4α-[メチル(エチルスルホニル)アミノ]-3,4-ジヒドロ-2H-1-ベンゾピラン-6-カルボニトリル
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Other name (7)：
  • 4α-(N-Ethylsulfonyl-N-methylamino)-3β-hydroxy-2,2-dimethylchroman-6-carbonitrile
  • 3,4-Dihydro-2,2-dimethyl-3β-hydroxy-4α-[methyl(ethylsulfonyl)amino]-2H-1-benzopyran-6-carbonitrile
  • (3S,4R)-3,4-Dihydro-2,2-dimethyl-3-hydroxy-4-[methyl(ethylsulfonyl)amino]-2H-1-benzopyran-6-carbonitrile
  • (3S,4R)-6-Cyano-4-(N-methylethylsulfonylamino)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-3-ol
  • (3S)-2,2-Dimethyl-3β-hydroxy-4α-[methyl(ethylsulfonyl)amino]-3,4-dihydro-2H-1-benzopyran-6-carbonitrile
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