EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H20FN3O4S3 |
| Net Charge | 0 |
| Average Mass | 493.607 |
| Monoisotopic Mass | 493.06000 |
| SMILES | CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3ccc(F)cc3)C(c3cccs3)C2)c1 |
| InChI | InChI=1S/C21H20FN3O4S3/c1-2-31(26,27)24-17-6-3-5-15(13-17)19-14-20(21-7-4-12-30-21)25(23-19)32(28,29)18-10-8-16(22)9-11-18/h3-13,20,24H,2,14H2,1H3 |
| InChIKey | KAOAXFYRSNWRTB-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[3-[2-(4-fluorophenyl)sulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide (CHEBI:111272) is a sulfonamide (CHEBI:35358) |
| Manual Xrefs | Databases |
|---|---|
| LSM-22728 | LINCS |