| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | C(C(NO)=O)(N(CCCCCCN)S(c1ccc(c(c1)C)F)(=O)=O)C |
| InChI | InChI | 1.03 | InChI=1S/C16H26FN3O4S/c1-12-11-14(7-8-15(12)17)25(23,24)20(13(2)16(21)19-22)10-6-4-3-5-9-18/h7-8,11,13,22H,3-6,9-10,18H2,1-2H3,(H,19,21)/t13-/m1/s1 |
| InChIKey | InChI | 1.03 | GEZZNJHDANMDNY-CYBMUJFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](N(CCCCCCN)[S](=O)(=O)c1ccc(F)c(C)c1)C(=O)NO |
| SMILES | CACTVS | 3.385 | C[CH](N(CCCCCCN)[S](=O)(=O)c1ccc(F)c(C)c1)C(=O)NO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1cc(ccc1F)S(=O)(=O)N(CCCCCCN)[C@H](C)C(=O)NO |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cc1cc(ccc1F)S(=O)(=O)N(CCCCCCN)C(C)C(=O)NO |
