Chem
J-GLOBAL ID:200907049798120467   Nikkaji number:J1.831.594G

(3aR,6S,6aS)-6-[[(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl]oxy]-6a-(phenylsulfonyl)-3,3a,6,6a-tetrahydro-4H-furo[3,4-c]pyrazole-4-one

(3aR,6S,6aS)-6-[[(1R,2S,5R)-2-イソプロピル-5-メチルシクロヘキシル]オキシ]-6a-(フェニルスルホニル)-3,3a,6,6a-テトラヒドロ-4H-フロ[3,4-c]ピラゾール-4-オン
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: C21H28N2O5S
Molecular formula furigana: C21-H28-N2-O5-S
Molecular weight: 420.520
InChI: InChI=1S/C21H28N2O5S/c1-13(2)16-10-9-14(3)11-18(16)27-20-21(17(12-22-23-21)19(24)28-20)29(25,26)15-7-5-4-6-8-15/h4-8,13-14,16-18,20H,9-12H2,1-3H3/t14-,16+,17-,18-,20+,21+/m1/s1
InChI key: WLDPVEFUKVJLRM-RXWYWUIXSA-N
SMILES: CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C@H]1OC(=O)[C@H]2CN=N[C@@]12S(=O)(=O)c1ccccc1
Systematic name  (3):
  • (3aR,6S,6aS)-6-[[(1R,2S,5R)-2-イソプロピル-5-メチルシクロヘキシル]オキシ]-6a-(フェニルスルホニル)-3,3a,6,6a-テトラヒドロ-4H-フロ[3,4-c]ピラゾール-4-オン
  • (3aR,6S,6aS)-6a-(ベンゼンスルホニル)-6-{[(1R,2S,5R)-5-メチル-2-(プロパン-2-イル)シクロヘキシル]オキシ}-3H,3aH,4H,6H,6aH-フロ[3,4-c]ピラゾール-4-オン
  • (3aR,6S,6aS)-6a-(benzenesulfonyl)-6-{[(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-3H,3aH,4H,6H,6aH-furo[3,4-c]pyrazol-4-one
Other name (1):
  • (3aR,6S,6aS)-6-[[(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl]oxy]-6a-(phenylsulfonyl)-3,3a,6,6a-tetrahydro-4H-furo[3,4-c]pyrazole-4-one
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