Chemical Compound

J1.812.991D

J1.812.991D chemical structure
Primary Record

J1.812.991D

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
101202375
SMILES
CC1=CC(=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)C(C)(C)C(=O)N4CC5CCC4CC5)[C@H](C)CNS(=O)(=O)C6=C(C=C(C=C6)[N+](=O)[O-])[N+](=O)[O-])C
Canonical SMILES
Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1

Names & Synonyms

  • J1.812.991D
  • 1-(2-Azabicyclo[2.2.2]octane-2-yl)-2-methyl-2-[2-(3,5-dimethylphenyl)-3-[(S)-1-methyl-2-(2,4-dinitrophenylsulfonylamino)ethyl]-1H-indole-5-yl]-1-propanone
  • N-[(2S)-2-[5-(1-{2-azabicyclo[2.2.2]octan-2-yl}-2-methyl-1-oxopropan-2-yl)-2-(3,5-dimethylphenyl)-1H-indol-3-yl]propyl]-2,4-dinitrobenzene-1-sulfonamide