Concept information
...
nitrogen molecular entity
organonitrogen compound
organonitrogen heterocyclic compound
quinolines
...
organic cyclic compound
organic heterocyclic compound
organonitrogen heterocyclic compound
quinolines
Preferred term
[(1r,2ar,8br)-1-(hydroxymethyl)-4-(3-methylphenyl)sulfonyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-cyclopropylmethanone
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C22H24N2O4S
inchi
- InChI=1S/C22H24N2O4S/c1-14-5-4-6-16(11-14)29(27,28)23-12-19-21(17-7-2-3-8-18(17)23)20(13-25)24(19)22(26)15-9-10-15/h2-8,11,15,19-21,25H,9-10,12-13H2,1H3/t19-,20-,21+/m0/s1
inchikey
- MLZRXUBZBZJSSG-PCCBWWKXSA-N
mass
- 412.504
monoisotopicmass
- 412.14568
smiles
- CC1=CC(=CC=C1)S(=O)(=O)N2C[C@H]3[C@H]([C@@H](N3C(=O)C4CC4)CO)C5=CC=CC=C52
subset
- 2_STAR
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:127716
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