EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H12N2O6S |
| Net Charge | 0 |
| Average Mass | 396.380 |
| Monoisotopic Mass | 396.04161 |
| SMILES | O=C(O)c1ccc(NS(=O)(=O)c2cc3c4c(cccc4c2)C(=O)NC3=O)cc1 |
| InChI | InChI=1S/C19H12N2O6S/c22-17-14-3-1-2-11-8-13(9-15(16(11)14)18(23)20-17)28(26,27)21-12-6-4-10(5-7-12)19(24)25/h1-9,21H,(H,24,25)(H,20,22,23) |
| InChIKey | ZBAOXGUVNUTLHL-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[(1,3-dioxo-5-benzo[de]isoquinolinyl)sulfonylamino]benzoic acid (CHEBI:94031) is a naphthalenes (CHEBI:25477) |
| 4-[(1,3-dioxo-5-benzo[de]isoquinolinyl)sulfonylamino]benzoic acid (CHEBI:94031) is a sulfonic acid derivative (CHEBI:33552) |
| Manual Xrefs | Databases |
|---|---|
| LSM-4626 | LINCS |