| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | FC(C)(F)c1nc(Oc2ccccc2)c(cn1)C(=O)NC(CCS(C)(=O)=O)C1CC1 |
| InChI | InChI | 1.06 | InChI=1S/C20H23F2N3O4S/c1-20(21,22)19-23-12-15(18(25-19)29-14-6-4-3-5-7-14)17(26)24-16(13-8-9-13)10-11-30(2,27)28/h3-7,12-13,16H,8-11H2,1-2H3,(H,24,26) |
| InChIKey | InChI | 1.06 | DBNMEVJJGIPVCE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(F)(F)c1ncc(C(=O)N[C@@H](CC[S](C)(=O)=O)C2CC2)c(Oc3ccccc3)n1 |
| SMILES | CACTVS | 3.385 | CC(F)(F)c1ncc(C(=O)N[CH](CC[S](C)(=O)=O)C2CC2)c(Oc3ccccc3)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(c1ncc(c(n1)Oc2ccccc2)C(=O)N[C@H](CCS(=O)(=O)C)C3CC3)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1ncc(c(n1)Oc2ccccc2)C(=O)NC(CCS(=O)(=O)C)C3CC3)(F)F |
