EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H22N4O3S2 |
| Net Charge | 0 |
| Average Mass | 442.566 |
| Monoisotopic Mass | 442.11333 |
| SMILES | CC1Cc2ccccc2N1C(=O)C1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 |
| InChI | InChI=1S/C21H22N4O3S2/c1-14-12-15-6-2-3-9-18(15)25(14)21(26)16-7-5-11-24(13-16)30(27,28)19-10-4-8-17-20(19)23-29-22-17/h2-4,6,8-10,14,16H,5,7,11-13H2,1H3 |
| InChIKey | HPODVUDKRMAOMR-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-3-piperidinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (CHEBI:120695) is a benzothiadiazole (CHEBI:48864) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32137 | LINCS |