Concept information
...
nitrogen molecular entity
organonitrogen compound
organonitrogen heterocyclic compound
quinolines
...
organic cyclic compound
organic heterocyclic compound
organonitrogen heterocyclic compound
quinolines
Preferred term
1-[(1r,2ar,8br)-1-(hydroxymethyl)-4-(2-methylphenyl)sulfonyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-1-propanone
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C21H24N2O4S
inchi
- InChI=1S/C21H24N2O4S/c1-3-20(25)23-17-12-22(28(26,27)19-11-7-4-8-14(19)2)16-10-6-5-9-15(16)21(17)18(23)13-24/h4-11,17-18,21,24H,3,12-13H2,1-2H3/t17-,18-,21+/m0/s1
inchikey
- JZJDAFMFJLEAEU-BBTUJRGHSA-N
mass
- 400.493
monoisotopicmass
- 400.14568
smiles
- CCC(=O)N1[C@H]2CN(C3=CC=CC=C3[C@H]2[C@@H]1CO)S(=O)(=O)C4=CC=CC=C4C
subset
- 2_STAR
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:126087
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