EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H33N3O5S |
| Net Charge | 0 |
| Average Mass | 451.589 |
| Monoisotopic Mass | 451.21409 |
| SMILES | CCOC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)CC1 |
| InChI | InChI=1S/C22H33N3O5S/c1-5-30-22(27)24-12-10-23(11-13-24)21(26)19-6-8-25(9-7-19)31(28,29)20-17(3)14-16(2)15-18(20)4/h14-15,19H,5-13H2,1-4H3 |
| InChIKey | RWPGXQYABKRTBC-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[oxo-[1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinyl]methyl]-1-piperazinecarboxylic acid ethyl ester (CHEBI:115045) is a sulfonamide (CHEBI:35358) |
| Manual Xrefs | Databases |
|---|---|
| LSM-26507 | LINCS |