EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H20N2O7S |
| Net Charge | 0 |
| Average Mass | 432.454 |
| Monoisotopic Mass | 432.09912 |
| SMILES | O=C(COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)NC1CC1 |
| InChI | InChI=1S/C20H20N2O7S/c23-19(21-14-5-6-14)12-29-20(24)13-1-3-15(4-2-13)22-30(25,26)16-7-8-17-18(11-16)28-10-9-27-17/h1-4,7-8,11,14,22H,5-6,9-10,12H2,(H,21,23) |
| InChIKey | SWMPVBUFKXOMHF-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid [2-(cyclopropylamino)-2-oxoethyl] ester (CHEBI:121369) is a benzoate ester (CHEBI:36054) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32812 | LINCS |