| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | C4N(Cc1ccccc1)CC(CN(CCOC)S(=O)(=O)c3ccc2c(cccc2)c3)CC4 |
| InChI | InChI | 1.03 | InChI=1S/C26H32N2O3S/c1-31-17-16-28(32(29,30)26-14-13-24-11-5-6-12-25(24)18-26)21-23-10-7-15-27(20-23)19-22-8-3-2-4-9-22/h2-6,8-9,11-14,18,23H,7,10,15-17,19-21H2,1H3/t23-/m0/s1 |
| InChIKey | InChI | 1.03 | NIHBOOKOQZGYSF-QHCPKHFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCCN(C[C@H]1CCCN(C1)Cc2ccccc2)[S](=O)(=O)c3ccc4ccccc4c3 |
| SMILES | CACTVS | 3.385 | COCCN(C[CH]1CCCN(C1)Cc2ccccc2)[S](=O)(=O)c3ccc4ccccc4c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | COCCN(C[C@H]1CCCN(C1)Cc2ccccc2)S(=O)(=O)c3ccc4ccccc4c3 |
| SMILES | OpenEye OEToolkits | 1.9.2 | COCCN(CC1CCCN(C1)Cc2ccccc2)S(=O)(=O)c3ccc4ccccc4c3 |
