| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 11.02 | O=S(=O)(c4cccc(Oc3cccc(c1c2cccc(c2ncc1)C(F)(F)F)c3)c4)C |
| SMILES_CANONICAL | CACTVS | 3.352 | C[S](=O)(=O)c1cccc(Oc2cccc(c2)c3ccnc4c3cccc4C(F)(F)F)c1 |
| SMILES | CACTVS | 3.352 | C[S](=O)(=O)c1cccc(Oc2cccc(c2)c3ccnc4c3cccc4C(F)(F)F)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CS(=O)(=O)c1cccc(c1)Oc2cccc(c2)c3ccnc4c3cccc4C(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.7.0 | CS(=O)(=O)c1cccc(c1)Oc2cccc(c2)c3ccnc4c3cccc4C(F)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C23H16F3NO3S/c1-31(28,29)18-8-3-7-17(14-18)30-16-6-2-5-15(13-16)19-11-12-27-22-20(19)9-4-10-21(22)23(24,25)26/h2-14H,1H3 |
| InChIKey | InChI | 1.03 | DZEKZLIXNYUATR-UHFFFAOYSA-N |
