| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | C1CN(CCN1C(=O)CC2CCCCC2)S(=O)(=O)c4c3ccncc3ccc4 |
| InChI | InChI | 1.03 | InChI=1S/C21H27N3O3S/c25-21(15-17-5-2-1-3-6-17)23-11-13-24(14-12-23)28(26,27)20-8-4-7-18-16-22-10-9-19(18)20/h4,7-10,16-17H,1-3,5-6,11-15H2 |
| InChIKey | InChI | 1.03 | CUMYYEWYWPAOFL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(CC1CCCCC1)N2CCN(CC2)[S](=O)(=O)c3cccc4cnccc34 |
| SMILES | CACTVS | 3.385 | O=C(CC1CCCCC1)N2CCN(CC2)[S](=O)(=O)c3cccc4cnccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O)CC4CCCCC4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O)CC4CCCCC4 |
