EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H25N3O4S |
| Net Charge | 0 |
| Average Mass | 439.537 |
| Monoisotopic Mass | 439.15658 |
| SMILES | COc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1 |
| InChI | InChI=1S/C23H25N3O4S/c1-30-20-9-3-2-6-19(20)16-25-23(27)18-11-14-26(15-12-18)31(28,29)21-10-4-7-17-8-5-13-24-22(17)21/h2-10,13,18H,11-12,14-16H2,1H3,(H,25,27) |
| InChIKey | PPOUFWVZSOTONG-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2-methoxyphenyl)methyl]-1-(8-quinolinylsulfonyl)-4-piperidinecarboxamide (CHEBI:108540) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19914 | LINCS |