CHEBI:114931 - 1-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-3-(2-quinolinyl)-2-propen-1-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-3-(2-quinolinyl)-2-propen-1-one
ChEBI ID CHEBI:114931
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H20FN3O3S
Net Charge 0
Average Mass 425.478
Monoisotopic Mass 425.12094
InChI InChI=1S/C22H20FN3O3S/c23-18-6-10-20(11-7-18)30(28,29)26-15-13-25(14-16-26)22(27)12-9-19-8-5-17-3-1-2-4-21(17)24-19/h1-12H,13-16H2
InChIKey KDBMWACETLRQAS-UHFFFAOYSA-N
SMILES C1CN(CCN1C(=O)C=CC2=NC3=CC=CC=C3C=C2)S(=O)(=O)C4=CC=C(C=C4)F
ChEBI Ontology
Outgoing 1-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-3-(2-quinolinyl)-2-propen-1-one (CHEBI:114931) is a quinolines (CHEBI:26513)
Manual Xref Database
LSM-26394 LINCS
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