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CHEBI:192646 - 4-[(4-phenethyl-1,4-diazepan-1-yl)sulfonyl]-2,1,3-benzoxadiazole

ChEBI IDCHEBI:192646
ChEBI Name4-[(4-phenethyl-1,4-diazepan-1-yl)sulfonyl]-2,1,3-benzoxadiazole
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H22N4O3S
Net Charge0
Average Mass386.477
Monoisotopic Mass386.14126
SMILESO=S(=O)(c1cccc2nonc12)N1CCCN(CCc2ccccc2)CC1
InChIInChI=1S/C19H22N4O3S/c24-27(25,18-9-4-8-17-19(18)21-26-20-17)23-12-5-11-22(14-15-23)13-10-16-6-2-1-3-7-16/h1-4,6-9H,5,10-15H2
InChIKeyYDCGBDSTHLYBLM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Valsa sordida (ncbitaxon:252740) Whole Organism (NCIT:C13413) MetaboLights (MTBLS4463)
ChEBI Ontology
Outgoing Relation(s)
4-[(4-phenethyl-1,4-diazepan-1-yl)sulfonyl]-2,1,3-benzoxadiazole (CHEBI:192646) is a benzoxadiazole (CHEBI:46829)
IUPAC Name 
4-[[4-(2-phenylethyl)-1,4-diazepan-1-yl]sulonyl]-2,1,3-benzoxadiazole
Manual XrefsDatabases
2088767ChemSpider