| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=S(=O)(NC1CCCCC1N1CCN(CC1)c1ccccc1OC)c1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C23H31N3O3S/c1-29-23-14-8-7-13-22(23)26-17-15-25(16-18-26)21-12-6-5-11-20(21)24-30(27,28)19-9-3-2-4-10-19/h2-4,7-10,13-14,20-21,24H,5-6,11-12,15-18H2,1H3/t20-,21-/m0/s1 |
| InChIKey | InChI | 1.03 | OVTXOMMQHRIKGL-SFTDATJTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccccc1N2CCN(CC2)[C@H]3CCCC[C@@H]3N[S](=O)(=O)c4ccccc4 |
| SMILES | CACTVS | 3.385 | COc1ccccc1N2CCN(CC2)[CH]3CCCC[CH]3N[S](=O)(=O)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccccc1N2CCN(CC2)[C@H]3CCCC[C@@H]3NS(=O)(=O)c4ccccc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccccc1N2CCN(CC2)C3CCCCC3NS(=O)(=O)c4ccccc4 |
