| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=S(=O)(c2c1ccnc(O)c1ccc2)N3CCCNCC3 |
| SMILES_CANONICAL | CACTVS | 3.341 | Oc1nccc2c1cccc2[S](=O)(=O)N3CCCNCC3 |
| SMILES | CACTVS | 3.341 | Oc1nccc2c1cccc2[S](=O)(=O)N3CCCNCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2c(ccnc2O)c(c1)S(=O)(=O)[N@]3CCCNCC3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2c(ccnc2O)c(c1)S(=O)(=O)N3CCCNCC3 |
| InChI | InChI | 1.03 | InChI=1S/C14H17N3O3S/c18-14-12-3-1-4-13(11(12)5-7-16-14)21(19,20)17-9-2-6-15-8-10-17/h1,3-5,7,15H,2,6,8-10H2,(H,16,18) |
| InChIKey | InChI | 1.03 | ZAVGJDAFCZAWSZ-UHFFFAOYSA-N |
