| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c2(NC(C1CN(CCC1)S(C)(=O)=O)=O)ccc(c(c2)F)Cl |
| InChI | InChI | 1.03 | InChI=1S/C13H16ClFN2O3S/c1-21(19,20)17-6-2-3-9(8-17)13(18)16-10-4-5-11(14)12(15)7-10/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,18)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | GRRLMNOEYDEZJF-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)N1CCC[C@@H](C1)C(=O)Nc2ccc(Cl)c(F)c2 |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)N1CCC[CH](C1)C(=O)Nc2ccc(Cl)c(F)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)N1CCC[C@@H](C1)C(=O)Nc2ccc(c(c2)F)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)N1CCCC(C1)C(=O)Nc2ccc(c(c2)F)Cl |
