EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:112341 - [4-(2,3-dimethylphenyl)-1-piperazinyl]-[5-[(4-methylphenyl)sulfonylmethyl]-2-furanyl]methanone

ChEBI IDCHEBI:112341
ChEBI Name[4-(2,3-dimethylphenyl)-1-piperazinyl]-[5-[(4-methylphenyl)sulfonylmethyl]-2-furanyl]methanone
Stars
DownloadsMolfile
FormulaC25H28N2O4S
Net Charge0
Average Mass452.576
Monoisotopic Mass452.17698
SMILESCc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(c4cccc(C)c4C)CC3)o2)cc1
InChIInChI=1S/C25H28N2O4S/c1-18-7-10-22(11-8-18)32(29,30)17-21-9-12-24(31-21)25(28)27-15-13-26(14-16-27)23-6-4-5-19(2)20(23)3/h4-12H,13-17H2,1-3H3
InChIKeyWKFVIGSICNRZHL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
[4-(2,3-dimethylphenyl)-1-piperazinyl]-[5-[(4-methylphenyl)sulfonylmethyl]-2-furanyl]methanone (CHEBI:112341) is a piperazines (CHEBI:26144)
Manual XrefsDatabases
LSM-23753LINCS