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CHEBI:228569 - 2-piperidinophenyl 4-(acetylamino)-3-chlorobenzenesulfonate

ChEBI IDCHEBI:228569
ChEBI Name2-piperidinophenyl 4-(acetylamino)-3-chlorobenzenesulfonate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H21ClN2O4S
Net Charge0
Average Mass408.907
Monoisotopic Mass408.09106
SMILESCC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2N2CCCCC2)cc1Cl
InChIInChI=1S/C19H21ClN2O4S/c1-14(23)21-17-10-9-15(13-16(17)20)27(24,25)26-19-8-4-3-7-18(19)22-11-5-2-6-12-22/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,21,23)
InChIKeyFVMAKHCHGBGXNP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
2-piperidinophenyl 4-(acetylamino)-3-chlorobenzenesulfonate (CHEBI:228569) is a piperidines (CHEBI:26151)
IUPAC Name 
(2-piperidin-1-ylphenyl) 4-acetamido-3-chlorobenzenesulonate
Manual XrefsDatabases
2091305ChemSpider