| PDB CCD ID: | QLV |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C15 H20 F2 N2 O3 S |
| InChI: | InChI=1S/C15H20F2N2O3S/c1-22-14-12(9-13(10-18-14)19-23(2,20)21)4-3-11-5-7-15(16,17)8-6-11/h3-4,9-11,19H,5-8H2,1-2H3/b4-3+ |
| InChIKey: | KJXYCXXAVTYSCU-ONEGZZNKSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | COc1ncc(N[S](C)(=O)=O)cc1/C=C/C2CCC(F)(F)CC2 | | ACDLabs 12.01 | c2(cnc(OC)c([C@H]=[C@H]C1CCC(CC1)(F)F)c2)NS(C)(=O)=O | | OpenEye OEToolkits 2.0.7 | COc1c(cc(cn1)NS(=O)(=O)C)C=CC2CCC(CC2)(F)F | | CACTVS 3.385 | COc1ncc(N[S](C)(=O)=O)cc1C=CC2CCC(F)(F)CC2 | | OpenEye OEToolkits 2.0.7 | COc1c(cc(cn1)NS(=O)(=O)C)/C=C/C2CCC(CC2)(F)F |
|
| Name: | N-{5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxypyridin-3-yl}methanesulfonamide |
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