EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H26N2O5S |
| Net Charge | 0 |
| Average Mass | 418.515 |
| Monoisotopic Mass | 418.15624 |
| SMILES | CCOc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)c1 |
| InChI | InChI=1S/C21H26N2O5S/c1-3-28-19-8-4-7-17(14-19)22-21(24)16-6-5-13-23(15-16)29(25,26)20-11-9-18(27-2)10-12-20/h4,7-12,14,16H,3,5-6,13,15H2,1-2H3,(H,22,24) |
| InChIKey | RYSRHJSDUGVEOP-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(3-ethoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxamide (CHEBI:109063) is a sulfonamide (CHEBI:35358) |
| Manual Xrefs | Databases |
|---|---|
| LSM-20461 | LINCS |