Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C19H23FN2O4S/c1-19(4-8-27(24,25)9-5-19)15-11-18(23)22(13-15)6-7-26-16-2-3-17(20)14(10-16)12-21/h2-3,10,15H,4-9,11,13H2,1H3/t15-/m1/s1 |
InChIKey | InChI | 1.03 | SYEMWCXBADSSGE-OAHLLOKOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1(CC[S](=O)(=O)CC1)[C@H]2CN(CCOc3ccc(F)c(c3)C#N)C(=O)C2 |
SMILES | CACTVS | 3.385 | CC1(CC[S](=O)(=O)CC1)[CH]2CN(CCOc3ccc(F)c(c3)C#N)C(=O)C2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC1(CCS(=O)(=O)CC1)[C@@H]2CC(=O)N(C2)CCOc3ccc(c(c3)C#N)F |
SMILES | OpenEye OEToolkits | 2.0.6 | CC1(CCS(=O)(=O)CC1)C2CC(=O)N(C2)CCOc3ccc(c(c3)C#N)F |