EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H20N4O4S |
| Net Charge | 0 |
| Average Mass | 412.471 |
| Monoisotopic Mass | 412.12053 |
| SMILES | CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)o1 |
| InChI | InChI=1S/C20H20N4O4S/c1-2-18-22-23-20(28-18)21-19(25)15-9-11-16(12-10-15)29(26,27)24-13-5-7-14-6-3-4-8-17(14)24/h3-4,6,8-12H,2,5,7,13H2,1H3,(H,21,23,25) |
| InChIKey | HWIAAGPFXHCQJS-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(5-ethyl-1,3,4-oxadiazol-2-yl)benzamide (CHEBI:122209) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33652 | LINCS |