EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H21N3O2S |
| Net Charge | 0 |
| Average Mass | 391.496 |
| Monoisotopic Mass | 391.13545 |
| SMILES | Cc1ccc(C2CC(c3ccccc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1 |
| InChI | InChI=1S/C22H21N3O2S/c1-16-7-9-18(10-8-16)22-15-21(17-5-3-2-4-6-17)24-25(22)19-11-13-20(14-12-19)28(23,26)27/h2-14,22H,15H2,1H3,(H2,23,26,27) |
| InChIKey | MBSCPVGGCCNQCY-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide (CHEBI:91884) is a sulfonamide (CHEBI:35358) |
| Manual Xrefs | Databases |
|---|---|
| LSM-1819 | LINCS |