EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H18F3N3O4S |
| Net Charge | 0 |
| Average Mass | 477.464 |
| Monoisotopic Mass | 477.09701 |
| SMILES | Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)no1 |
| InChI | InChI=1S/C22H18F3N3O4S/c1-14-9-20(27-32-14)26-21(29)13-33(30,31)19-12-28(18-8-3-2-7-17(18)19)11-15-5-4-6-16(10-15)22(23,24)25/h2-10,12H,11,13H2,1H3,(H,26,27,29) |
| InChIKey | XWEZRSCMBQVPCF-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(5-methyl-3-isoxazolyl)-2-[[1-[[3-(trifluoromethyl)phenyl]methyl]-3-indolyl]sulfonyl]acetamide (CHEBI:93455) is a (trifluoromethyl)benzenes (CHEBI:83565) |
| Manual Xrefs | Databases |
|---|---|
| LSM-3866 | LINCS |