EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H21F7N2O3S |
| Net Charge | 0 |
| Average Mass | 514.463 |
| Monoisotopic Mass | 514.11611 |
| SMILES | C[C@@H]1CN(c2ccc(F)cc2C(F)(F)F)CCN1S(=O)(=O)c1cccc([C@@](C)(O)C(F)(F)F)c1 |
| InChI | InChI=1S/C21H21F7N2O3S/c1-13-12-29(18-7-6-15(22)11-17(18)20(23,24)25)8-9-30(13)34(32,33)16-5-3-4-14(10-16)19(2,31)21(26,27)28/h3-7,10-11,13,31H,8-9,12H2,1-2H3/t13-,19-/m1/s1 |
| InChIKey | ZWASRJHIEFYJGL-BFUOFWGJSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| hsd-016 (CHEBI:756786) is a piperazines (CHEBI:26144) |
| Synonym | Source |
|---|---|
| Hsd-016 | ChEMBL |
| Citations |
|---|