EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H22N2O7S2 |
| Net Charge | 0 |
| Average Mass | 454.526 |
| Monoisotopic Mass | 454.08684 |
| SMILES | COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 |
| InChI | InChI=1S/C19H22N2O7S2/c1-26-15-2-4-16(5-3-15)29(22,23)20-8-10-21(11-9-20)30(24,25)17-6-7-18-19(14-17)28-13-12-27-18/h2-7,14H,8-13H2,1H3 |
| InChIKey | HMGDKYUJSFVHIY-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(4-methoxyphenyl)sulfonylpiperazine (CHEBI:92774) is a sulfonamide (CHEBI:35358) |
| Manual Xrefs | Databases |
|---|---|
| LSM-2975 | LINCS |