| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(Cc1ccc(NS(=O)(=O)CC)cc1)N1CCN(CC1)c1ccc(C#N)nn1 |
| InChI | InChI | 1.03 | InChI=1S/C19H22N6O3S/c1-2-29(27,28)23-16-5-3-15(4-6-16)13-19(26)25-11-9-24(10-12-25)18-8-7-17(14-20)21-22-18/h3-8,23H,2,9-13H2,1H3 |
| InChIKey | InChI | 1.03 | CQEJWUNDLXSYOU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[S](=O)(=O)Nc1ccc(CC(=O)N2CCN(CC2)c3ccc(nn3)C#N)cc1 |
| SMILES | CACTVS | 3.385 | CC[S](=O)(=O)Nc1ccc(CC(=O)N2CCN(CC2)c3ccc(nn3)C#N)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCS(=O)(=O)Nc1ccc(cc1)CC(=O)N2CCN(CC2)c3ccc(nn3)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCS(=O)(=O)Nc1ccc(cc1)CC(=O)N2CCN(CC2)c3ccc(nn3)C#N |
