EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:114913 - 2-(benzenesulfonylmethyl)-5-(4-chlorophenyl)cyclohexane-1,3-dione

ChEBI IDCHEBI:114913
ChEBI Name2-(benzenesulfonylmethyl)-5-(4-chlorophenyl)cyclohexane-1,3-dione
Stars
DownloadsMolfile
FormulaC19H17ClO4S
Net Charge0
Average Mass376.861
Monoisotopic Mass376.05361
SMILESO=C1CC(c2ccc(Cl)cc2)CC(=O)C1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H17ClO4S/c20-15-8-6-13(7-9-15)14-10-18(21)17(19(22)11-14)12-25(23,24)16-4-2-1-3-5-16/h1-9,14,17H,10-12H2
InChIKeyFSHIPBXJKASDDF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-(benzenesulfonylmethyl)-5-(4-chlorophenyl)cyclohexane-1,3-dione (CHEBI:114913) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-26376LINCS