| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C19H22N4O2S/c1-14-5-6-16(17-13-22-9-3-4-15(2)19(22)21-17)12-18(14)26(24,25)23-10-7-20-8-11-23/h3-6,9,12-13,20H,7-8,10-11H2,1-2H3 |
| InChIKey | InChI | 1.03 | VEQQFFCWFKIQSW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccn2cc(nc12)c3ccc(C)c(c3)[S](=O)(=O)N4CCNCC4 |
| SMILES | CACTVS | 3.385 | Cc1cccn2cc(nc12)c3ccc(C)c(c3)[S](=O)(=O)N4CCNCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cccn2c1nc(c2)c3ccc(c(c3)S(=O)(=O)N4CCNCC4)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cccn2c1nc(c2)c3ccc(c(c3)S(=O)(=O)N4CCNCC4)C |
