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CHEBI:190672 - 8-[(4-phenethyl-1,4-diazepan-1-yl)sulfonyl]quinoline

ChEBI IDCHEBI:190672
ChEBI Name8-[(4-phenethyl-1,4-diazepan-1-yl)sulfonyl]quinoline
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H25N3O2S
Net Charge0
Average Mass395.528
Monoisotopic Mass395.16675
SMILESO=S(=O)(c1cccc2cccnc12)N1CCCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H25N3O2S/c26-28(27,21-11-4-9-20-10-5-13-23-22(20)21)25-15-6-14-24(17-18-25)16-12-19-7-2-1-3-8-19/h1-5,7-11,13H,6,12,14-18H2
InChIKeyIGRNESHZQFKXFU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) liver (BTO:0000759) MetaboLights (MTBLS4163)
ChEBI Ontology
Outgoing Relation(s)
8-[(4-phenethyl-1,4-diazepan-1-yl)sulfonyl]quinoline (CHEBI:190672) is a quinolines (CHEBI:26513)
IUPAC Name 
8-[[4-(2-phenylethyl)-1,4-diazepan-1-yl]sulonyl]quinoline
Manual XrefsDatabases
2088450ChemSpider