| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | C1(N(CCNC1)S(c2ccccc2)(=O)=O)CCc3c(cccc3NC(=O)CC(c4ccc(cc4)F)c5ccc(F)cc5)F |
| InChI | InChI | 1.03 | InChI=1S/C33H32F3N3O3S/c34-25-13-9-23(10-14-25)30(24-11-15-26(35)16-12-24)21-33(40)38-32-8-4-7-31(36)29(32)18-17-27-22-37-19-20-39(27)43(41,42)28-5-2-1-3-6-28/h1-16,27,30,37H,17-22H2,(H,38,40)/t27-/m0/s1 |
| InChIKey | InChI | 1.03 | QQUFYXWRXCEMDE-MHZLTWQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(cc1)C(CC(=O)Nc2cccc(F)c2CC[C@H]3CNCCN3[S](=O)(=O)c4ccccc4)c5ccc(F)cc5 |
| SMILES | CACTVS | 3.385 | Fc1ccc(cc1)C(CC(=O)Nc2cccc(F)c2CC[CH]3CNCCN3[S](=O)(=O)c4ccccc4)c5ccc(F)cc5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)S(=O)(=O)N2CCNC[C@@H]2CCc3c(cccc3F)NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)S(=O)(=O)N2CCNCC2CCc3c(cccc3F)NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F |
