Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(N(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)CC(F)(F)F)c2ccccc2 |
SMILES_CANONICAL | CACTVS | 3.341 | OC(c1ccc(cc1)N(CC(F)(F)F)[S](=O)(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F |
SMILES | CACTVS | 3.341 | OC(c1ccc(cc1)N(CC(F)(F)F)[S](=O)(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)S(=O)(=O)[N@@](CC(F)(F)F)c2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)S(=O)(=O)N(CC(F)(F)F)c2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O |
InChI | InChI | 1.03 | InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2 |
InChIKey | InChI | 1.03 | SGIWFELWJPNFDH-UHFFFAOYSA-N |