| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=CN2C(C(=O)NC1CCNCC1)CCC(NOS(=O)(=O)O)C2 |
| InChI | InChI | 1.03 | InChI=1S/C12H22N4O6S/c17-8-16-7-10(15-22-23(19,20)21)1-2-11(16)12(18)14-9-3-5-13-6-4-9/h8-11,13,15H,1-7H2,(H,14,18)(H,19,20,21)/t10-,11+/m1/s1 |
| InChIKey | InChI | 1.03 | VGHMECNLFQGIJM-MNOVXSKESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[S](=O)(=O)ON[C@@H]1CC[C@H](N(C1)C=O)C(=O)NC2CCNCC2 |
| SMILES | CACTVS | 3.385 | O[S](=O)(=O)ON[CH]1CC[CH](N(C1)C=O)C(=O)NC2CCNCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)NC2CCNCC2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1CC(N(CC1NOS(=O)(=O)O)C=O)C(=O)NC2CCNCC2 |
