Chem
J-GLOBAL ID:200907018704314716   Nikkaji number:J1.659.749J

(1α,4α)-2-Benzyl-2-azabicyclo[2.2.1]hepta-5-ene-3α-carboxylic acid (1S,2R,4R)-10-(dicyclohexylsulfamoyl)bornane-2α-yl ester

(1α,4α)-2-ベンジル-2-アザビシクロ[2.2.1]ヘプタ-5-エン-3α-カルボン酸(1S,2R,4R)-10-(ジシクロヘキシルスルファモイル)ボルナン-2α-イル
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: C36H52N2O4S
Molecular formula furigana: C36-H52-N2-O4-S
Molecular weight: 608.880
InChI: InChI=1S/C36H52N2O4S/c1-35(2)28-20-21-36(35,25-43(40,41)38(29-14-8-4-9-15-29)30-16-10-5-11-17-30)32(23-28)42-34(39)33-27-18-19-31(22-27)37(33)24-26-12-6-3-7-13-26/h3,6-7,12-13,18-19,27-33H,4-5,8-11,14-17,20-25H2,1-2H3/t27-,28+,31+,32+,33-,36+/m0/s1
InChI key: JIYSIHIXGGZODZ-PUZCTHNCSA-N
SMILES: CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N(C1CCCCC1)C1CCCCC1)[C@@H](C2)OC(=O)[C@@H]1[C@@H]2C[C@@H](C=C2)N1Cc1ccccc1
Systematic name  (3):
  • (1α,4α)-2-ベンジル-2-アザビシクロ[2.2.1]ヘプタ-5-エン-3α-カルボン酸(1S,2R,4R)-10-(ジシクロヘキシルスルファモイル)ボルナン-2α-イル
  • (1S,2R,4R)-1-[(ジシクロヘキシルスルファモイル)メチル]-7,7-ジメチルビシクロ[2.2.1]ヘプタン-2-イル (1S,3S,4R)-2-ベンジル-2-アザビシクロ[2.2.1]ヘプタ-5-エン-3-カルボキシラート
  • (1S,2R,4R)-1-[(dicyclohexylsulfamoyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-yl (1S,3S,4R)-2-benzyl-2-azabicyclo[2.2.1]hept-5-ene-3-carboxylate
Other name (1):
  • (1α,4α)-2-Benzyl-2-azabicyclo[2.2.1]hepta-5-ene-3α-carboxylic acid (1S,2R,4R)-10-(dicyclohexylsulfamoyl)bornane-2α-yl ester
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