Chem
J-GLOBAL ID：200907040049622769   Nikkaji number：J1.779.039K

1-(2-Nitrophenylsulfonyl)octahydroazocine

1-(2-ニトロベンゼンスルホニル)アゾカン
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： C13H18N[N+]O3[O-]S
Molecular formula furigana： C13-H18-N2-O4-S
Molecular weight： 298.360
InChI： InChI=1S/C13H18N2O4S/c16-15(17)12-8-4-5-9-13(12)20(18,19)14-10-6-2-1-3-7-11-14/h4-5,8-9H,1-3,6-7,10-11H2
InChI key： PWWBHBUEXOFCKQ-UHFFFAOYSA-N
SMILES： [O-][N+](=O)c1ccccc1S(=O)(=O)N1CCCCCCC1
Systematic name  (3)：
  • 1-(2-ニトロフェニルスルホニル)オクタヒドロアゾシン
  • 1-(2-ニトロベンゼンスルホニル)アゾカン
  • 1-(2-nitrobenzenesulfonyl)azocane
Other name (1)：
  • 1-(2-Nitrophenylsulfonyl)octahydroazocine
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