EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H19N5O5S |
| Net Charge | 0 |
| Average Mass | 417.447 |
| Monoisotopic Mass | 417.11069 |
| SMILES | CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NNC1=c2ccccc2=NC1=O |
| InChI | InChI=1S/C18H19N5O5S/c1-3-22(4-2)29(27,28)16-11-12(23(25)26)9-10-15(16)20-21-17-13-7-5-6-8-14(13)19-18(17)24/h5-11,20H,3-4H2,1-2H3,(H,19,21,24) |
| InChIKey | YVCSNQGOMUOWQJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N,N-diethyl-5-nitro-2-[(2-oxo-3-indolyl)hydrazo]benzenesulfonamide (CHEBI:115069) is a sulfonamide (CHEBI:35358) |
| Manual Xrefs | Databases |
|---|---|
| LSM-26531 | LINCS |