EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H22N6O4S |
| Net Charge | 0 |
| Average Mass | 442.501 |
| Monoisotopic Mass | 442.14232 |
| SMILES | COc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)C2)c1 |
| InChI | InChI=1S/C20H22N6O4S/c1-30-18-6-2-5-16(12-18)22-20(27)15-4-3-11-25(13-15)31(28,29)19-9-7-17(8-10-19)26-14-21-23-24-26/h2,5-10,12,14-15H,3-4,11,13H2,1H3,(H,22,27) |
| InChIKey | MXXDERMISKKKKI-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(3-methoxyphenyl)-1-[4-(1-tetrazolyl)phenyl]sulfonyl-3-piperidinecarboxamide (CHEBI:108973) is a tetrazoles (CHEBI:35689) |
| Manual Xrefs | Databases |
|---|---|
| LSM-20371 | LINCS |