EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H19ClN2O4S3 |
| Net Charge | 0 |
| Average Mass | 483.036 |
| Monoisotopic Mass | 482.01955 |
| SMILES | CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCc3ccccc3C2)s1 |
| InChI | InChI=1S/C20H19ClN2O4S3/c1-2-29(24,25)20-22-18(30(26,27)17-9-7-16(21)8-10-17)19(28-20)23-12-11-14-5-3-4-6-15(14)13-23/h3-10H,2,11-13H2,1H3 |
| InChIKey | XWBNXNPYMCYTKF-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-(4-chlorophenyl)sulfonyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-ethylsulfonylthiazole (CHEBI:105263) is a isoquinolines (CHEBI:24922) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16626 | LINCS |