EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H26N4O4S |
| Net Charge | 0 |
| Average Mass | 442.541 |
| Monoisotopic Mass | 442.16748 |
| SMILES | COc1ccc(N(CC(=O)Nc2ccc(C)c(C)c2)S(=O)(=O)c2c(C)nnc2C)cc1 |
| InChI | InChI=1S/C22H26N4O4S/c1-14-6-7-18(12-15(14)2)23-21(27)13-26(19-8-10-20(30-5)11-9-19)31(28,29)22-16(3)24-25-17(22)4/h6-12H,13H2,1-5H3,(H,23,27)(H,24,25) |
| InChIKey | QVTJDAICPQMUMU-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(3,4-dimethylphenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide (CHEBI:121946) is a sulfonamide (CHEBI:35358) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33389 | LINCS |