| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | Clc1ccc(cc1)COCCNCCNS(=O)(=O)c2cccc3c2ccnc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | Clc1ccc(COCCNCCN[S](=O)(=O)c2cccc3cnccc23)cc1 |
| SMILES | CACTVS | 3.341 | Clc1ccc(COCCNCCN[S](=O)(=O)c2cccc3cnccc23)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2cnccc2c(c1)S(=O)(=O)NCCNCCOCc3ccc(cc3)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2cnccc2c(c1)S(=O)(=O)NCCNCCOCc3ccc(cc3)Cl |
| InChI | InChI | 1.03 | InChI=1S/C20H22ClN3O3S/c21-18-6-4-16(5-7-18)15-27-13-12-22-10-11-24-28(25,26)20-3-1-2-17-14-23-9-8-19(17)20/h1-9,14,22,24H,10-13,15H2 |
| InChIKey | InChI | 1.03 | AUHWQSZMVMMRLM-UHFFFAOYSA-N |
