Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c2(cnc(OC)c([C@H]=[C@H]C1CCC(CC1)(F)F)c2)NS(C)(=O)=O |
InChI | InChI | 1.03 | 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 | InChI | 1.03 | KJXYCXXAVTYSCU-ONEGZZNKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ncc(N[S](C)(=O)=O)cc1/C=C/C2CCC(F)(F)CC2 |
SMILES | CACTVS | 3.385 | COc1ncc(N[S](C)(=O)=O)cc1C=CC2CCC(F)(F)CC2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1c(cc(cn1)NS(=O)(=O)C)/C=C/C2CCC(CC2)(F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1c(cc(cn1)NS(=O)(=O)C)C=CC2CCC(CC2)(F)F |