Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1cc(cc(F)c1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3ccc4nccn4c3 |
InChI | InChI | 1.03 | InChI=1S/C21H15F2N3O3S/c22-16-9-17(23)11-19(10-16)30(28,29)18-4-1-14(2-5-18)12-25-21(27)15-3-6-20-24-7-8-26(20)13-15/h1-11,13H,12H2,(H,25,27) |
InChIKey | InChI | 1.03 | XRDVXQQZLHVEQZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Fc1cc(F)cc(c1)[S](=O)(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)cc2 |
SMILES | CACTVS | 3.370 | Fc1cc(F)cc(c1)[S](=O)(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CNC(=O)c2ccc3nccn3c2)S(=O)(=O)c4cc(cc(c4)F)F |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CNC(=O)c2ccc3nccn3c2)S(=O)(=O)c4cc(cc(c4)F)F |