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CHEBI:228540 - 3-(dimethylamino)-1-[4-(phenylsulfonyl)phenyl]prop-2-en-1-one

ChEBI IDCHEBI:228540
ChEBI Name3-(dimethylamino)-1-[4-(phenylsulfonyl)phenyl]prop-2-en-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H17NO3S
Net Charge0
Average Mass315.394
Monoisotopic Mass315.09291
SMILESCN(C)C=CC(=O)c1ccc(S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H17NO3S/c1-18(2)13-12-17(19)14-8-10-16(11-9-14)22(20,21)15-6-4-3-5-7-15/h3-13H,1-2H3
InChIKeyICVMMSHWXIIREX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
3-(dimethylamino)-1-[4-(phenylsulfonyl)phenyl]prop-2-en-1-one (CHEBI:228540) is a sulfonic acid derivative (CHEBI:33552)
IUPAC Name 
1-[4-(benzenesulonyl)phenyl]-3-(dimethylamino)prop-2-en-1-one
Manual XrefsDatabases
637986ChemSpider