Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N#Cc1cc(cc(F)c1)Oc3c2CC(F)(F)C(c2c(cc3)S(=O)(=O)C(F)F)O |
InChI | InChI | 1.03 | InChI=1S/C17H10F5NO4S/c18-9-3-8(7-23)4-10(5-9)27-12-1-2-13(28(25,26)16(19)20)14-11(12)6-17(21,22)15(14)24/h1-5,15-16,24H,6H2/t15-/m0/s1 |
InChIKey | InChI | 1.03 | MXUSGDMIHGLCNC-HNNXBMFYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1c2c(CC1(F)F)c(Oc3cc(F)cc(c3)C#N)ccc2[S](=O)(=O)C(F)F |
SMILES | CACTVS | 3.385 | O[CH]1c2c(CC1(F)F)c(Oc3cc(F)cc(c3)C#N)ccc2[S](=O)(=O)C(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(c2c(c1Oc3cc(cc(c3)F)C#N)CC([C@H]2O)(F)F)S(=O)(=O)C(F)F |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c2c(c1Oc3cc(cc(c3)F)C#N)CC(C2O)(F)F)S(=O)(=O)C(F)F |