EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H28N2O3S |
| Net Charge | 0 |
| Average Mass | 412.555 |
| Monoisotopic Mass | 412.18206 |
| SMILES | O=C(c1cccc(S(=O)(=O)NC2CCCCCC2)c1)N1CCCc2ccccc21 |
| InChI | InChI=1S/C23H28N2O3S/c26-23(25-16-8-11-18-9-5-6-15-22(18)25)19-10-7-14-21(17-19)29(27,28)24-20-12-3-1-2-4-13-20/h5-7,9-10,14-15,17,20,24H,1-4,8,11-13,16H2 |
| InChIKey | XZDMAKJNSGYMQP-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-cycloheptyl-3-[3,4-dihydro-2H-quinolin-1-yl(oxo)methyl]benzenesulfonamide (CHEBI:94074) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-4679 | LINCS |