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CHEBI:194255 - N-(2-oxo-3-azepanyl)-4-(phenylsulfonyl)-2-thiophenesulfonamide

ChEBI IDCHEBI:194255
ChEBI NameN-(2-oxo-3-azepanyl)-4-(phenylsulfonyl)-2-thiophenesulfonamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18N2O5S3
Net Charge0
Average Mass414.530
Monoisotopic Mass414.03778
SMILESO=C1NCCCCC1NS(=O)(=O)c1cc(S(=O)(=O)c2ccccc2)cs1
InChIInChI=1S/C16H18N2O5S3/c19-16-14(8-4-5-9-17-16)18-26(22,23)15-10-13(11-24-15)25(20,21)12-6-2-1-3-7-12/h1-3,6-7,10-11,14,18H,4-5,8-9H2,(H,17,19)
InChIKeyVSTNILKGXGXUBP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) peripheral blood mononuclear cell (BTO:0001025) MetaboLights (MTBLS6661)
ChEBI Ontology
Outgoing Relation(s)
N-(2-oxo-3-azepanyl)-4-(phenylsulfonyl)-2-thiophenesulfonamide (CHEBI:194255) is a sulfonic acid derivative (CHEBI:33552)
IUPAC Name 
4-(benzenesulonyl)-N-(2-oxoazepan-3-yl)thiophene-2-sulonamide
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