EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H12FN3O4S2 |
| Net Charge | 0 |
| Average Mass | 441.465 |
| Monoisotopic Mass | 441.02533 |
| SMILES | N#CC(=Cc1cccn1S(=O)(=O)c1cccc(C#N)c1)S(=O)(=O)c1ccc(F)cc1 |
| InChI | InChI=1S/C20H12FN3O4S2/c21-16-6-8-18(9-7-16)29(25,26)20(14-23)12-17-4-2-10-24(17)30(27,28)19-5-1-3-15(11-19)13-22/h1-12H |
| InChIKey | GTRVPJBVKDIFNU-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-2450 (CHEBI:92367) is a sulfonamide (CHEBI:35358) |
| Manual Xrefs | Databases |
|---|---|
| LSM-2450 | LINCS |