Chem
J-GLOBAL ID：200907061050278270   Nikkaji number：J541.148C

NS-398

NS-398
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+]O4[O-]S
Molecular formula furigana： C13-H18-N2-O5-S
Molecular weight： 314.360
InChI： InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3
InChI key： KTDZCOWXCWUPEO-UHFFFAOYSA-N
SMILES： CS(=O)(=O)Nc1ccc(cc1OC1CCCCC1)[N+](=O)[O-]
Systematic name  (4)：
  • N-[2-(シクロヘキシルオキシ)-4-ニトロフェニル]メタンスルホンアミド
  • N-(2-シクロヘキシルオキシ-4-ニトロフェニル)メタンスルホンアミド
  • N-(メチルスルホニル)-2-(シクロヘキシルオキシ)-4-ニトロアニリン
  • N-[2-(cyclohexyloxy)-4-nitrophenyl]methanesulfonamide
Other name (4)：
  • NS-398
  • N-(2-Cyclohexyloxy-4-nitrophenyl)methanesulfonamide
  • N-(Methylsulfonyl)-2-(cyclohexyloxy)-4-nitroaniline
  • Taisho NS-398
CAS registry number： 123653-11-2
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