EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H25N3O5S2 |
| Net Charge | 0 |
| Average Mass | 451.570 |
| Monoisotopic Mass | 451.12356 |
| SMILES | CC(=O)Nc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 |
| InChI | InChI=1S/C20H25N3O5S2/c1-16-4-8-19(9-5-16)29(25,26)22-12-3-13-23(15-14-22)30(27,28)20-10-6-18(7-11-20)21-17(2)24/h4-11H,3,12-15H2,1-2H3,(H,21,24) |
| InChIKey | SHTWNHAXTLXGSX-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]phenyl]acetamide (CHEBI:105420) is a sulfonamide (CHEBI:35358) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16783 | LINCS |