EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C21H22N4O5S2 |
| Net Charge | 0 |
| Average Mass | 474.564 |
| Monoisotopic Mass | 474.10316 |
| SMILES | O=C(NCC1COc2ccccc2O1)C1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 |
| InChI | InChI=1S/C21H22N4O5S2/c26-21(22-11-15-13-29-17-7-1-2-8-18(17)30-15)14-5-4-10-25(12-14)32(27,28)19-9-3-6-16-20(19)24-31-23-16/h1-3,6-9,14-15H,4-5,10-13H2,(H,22,26) |
| InChIKey | VUUNOJLTZTZKLG-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-piperidinecarboxamide (CHEBI:120730) is a benzodioxine (CHEBI:64096) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32172 | LINCS |