EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H21ClN2O4S |
| Net Charge | 0 |
| Average Mass | 444.940 |
| Monoisotopic Mass | 444.09106 |
| SMILES | CC1CCCN(C2=C(NS(=O)(=O)c3ccc(Cl)cc3)C(=O)c3ccccc3C2=O)C1 |
| InChI | InChI=1S/C22H21ClN2O4S/c1-14-5-4-12-25(13-14)20-19(21(26)17-6-2-3-7-18(17)22(20)27)24-30(28,29)16-10-8-15(23)9-11-16/h2-3,6-11,14,24H,4-5,12-13H2,1H3 |
| InChIKey | SEURDONILXFGPZ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-chloro-N-[3-(3-methyl-1-piperidinyl)-1,4-dioxo-2-naphthalenyl]benzenesulfonamide (CHEBI:116513) is a 1,4-naphthoquinones (CHEBI:132142) |
| Manual Xrefs | Databases |
|---|---|
| LSM-27967 | LINCS |