| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c2cc1N(C(C)=O)CCc1cc2S(N4CCN(c3cc(cc(c3)Cl)C(F)(F)F)CC4)(=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C21H21ClF3N3O3S/c1-14(29)28-5-4-15-10-19(2-3-20(15)28)32(30,31)27-8-6-26(7-9-27)18-12-16(21(23,24)25)11-17(22)13-18/h2-3,10-13H,4-9H2,1H3 |
| InChIKey | InChI | 1.03 | PDEIRNVIXFZSSJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCc2cc(ccc12)[S](=O)(=O)N3CCN(CC3)c4cc(Cl)cc(c4)C(F)(F)F |
| SMILES | CACTVS | 3.385 | CC(=O)N1CCc2cc(ccc12)[S](=O)(=O)N3CCN(CC3)c4cc(Cl)cc(c4)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCc2c1ccc(c2)S(=O)(=O)N3CCN(CC3)c4cc(cc(c4)Cl)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCc2c1ccc(c2)S(=O)(=O)N3CCN(CC3)c4cc(cc(c4)Cl)C(F)(F)F |
