EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H27N3O3S |
| Net Charge | 0 |
| Average Mass | 413.543 |
| Monoisotopic Mass | 413.17731 |
| SMILES | CCC(CC)C(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)CC1c1ccccc1 |
| InChI | InChI=1S/C22H27N3O3S/c1-4-16(5-2)22(26)25-21(18-9-7-6-8-10-18)15-20(23-25)17-11-13-19(14-12-17)24-29(3,27)28/h6-14,16,21,24H,4-5,15H2,1-3H3 |
| InChIKey | DFHGKXFEASXWGT-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[4-[2-(2-ethyl-1-oxobutyl)-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide (CHEBI:121076) is a sulfonamide (CHEBI:35358) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32519 | LINCS |