| PDB CCD ID: | Y0M |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C14 H13 F N2 O7 S2 |
| InChI: | InChI=1S/C14H13FN2O7S2/c1-22-14-9(3-2-6-16-14)17-26(20,21)11-5-4-10(25(15,18)19)12-13(11)24-8-7-23-12/h2-6,17H,7-8H2,1H3 |
| InChIKey: | WCROSRZUKBYAQZ-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | COc1c(cccn1)NS(=O)(=O)c2ccc(c3c2OCCO3)S(=O)(=O)F | | CACTVS 3.385 | COc1ncccc1N[S](=O)(=O)c2ccc(c3OCCOc23)[S](F)(=O)=O | | ACDLabs 12.01 | COc1ncccc1NS(=O)(=O)c1ccc(c2OCCOc12)S(F)(=O)=O |
|
| Name: | 8-[fluoro(dihydroxy)-lambda~4~-sulfanyl]-N-(2-methoxypyridin-3-yl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide |
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