EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C20H21BrN2O5S |
| Net Charge | 0 |
| Average Mass | 481.368 |
| Monoisotopic Mass | 480.03545 |
| SMILES | CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)NCC2COc3ccccc3O2)CC1C |
| InChI | InChI=1S/C20H21BrN2O5S/c1-12-7-14-8-15(21)9-19(20(14)23(12)13(2)24)29(25,26)22-10-16-11-27-17-5-3-4-6-18(17)28-16/h3-6,8-9,12,16,22H,7,10-11H2,1-2H3 |
| InChIKey | SIBRQXJGJMWOEK-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-acetyl-5-bromo-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methyl-2,3-dihydroindole-7-sulfonamide (CHEBI:109795) is a benzodioxine (CHEBI:64096) |
| Manual Xrefs | Databases |
|---|---|
| LSM-21223 | LINCS |