| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=S(=O)(c1ccc(OCC#CC)cc1)N2CCC(S)C2 |
| SMILES_CANONICAL | CACTVS | 3.341 | CC#CCOc1ccc(cc1)[S](=O)(=O)N2CC[C@H](S)C2 |
| SMILES | CACTVS | 3.341 | CC#CCOc1ccc(cc1)[S](=O)(=O)N2CC[CH](S)C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC#CCOc1ccc(cc1)S(=O)(=O)[N@]2CC[C@@H](C2)S |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC#CCOc1ccc(cc1)S(=O)(=O)N2CCC(C2)S |
| InChI | InChI | 1.03 | InChI=1S/C14H17NO3S2/c1-2-3-10-18-12-4-6-14(7-5-12)20(16,17)15-9-8-13(19)11-15/h4-7,13,19H,8-11H2,1H3/t13-/m0/s1 |
| InChIKey | InChI | 1.03 | BLIQFUCBRCDFAI-ZDUSSCGKSA-N |
