EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H23N3O6S2 |
| Net Charge | 0 |
| Average Mass | 477.564 |
| Monoisotopic Mass | 477.10283 |
| SMILES | CCOc1ccc2nc(NC(=O)c3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)sc2c1 |
| InChI | InChI=1S/C21H23N3O6S2/c1-3-30-15-5-6-16-18(13-15)31-21(22-16)23-20(25)14-4-7-17(28-2)19(12-14)32(26,27)24-8-10-29-11-9-24/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,23,25) |
| InChIKey | KXHKBHYRCVZTJK-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxy-3-(4-morpholinylsulfonyl)benzamide (CHEBI:107745) is a sulfonamide (CHEBI:35358) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19122 | LINCS |