| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Cc1ccc(NS(C)(=O)=O)cc1)N1CCN(CC1)c1ccc(C#N)nn1 |
| InChI | InChI | 1.03 | InChI=1S/C18H20N6O3S/c1-28(26,27)22-15-4-2-14(3-5-15)12-18(25)24-10-8-23(9-11-24)17-7-6-16(13-19)20-21-17/h2-7,22H,8-12H2,1H3 |
| InChIKey | InChI | 1.03 | LHSUDPHLKGVUSJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)Nc1ccc(CC(=O)N2CCN(CC2)c3ccc(nn3)C#N)cc1 |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)Nc1ccc(CC(=O)N2CCN(CC2)c3ccc(nn3)C#N)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)Nc1ccc(cc1)CC(=O)N2CCN(CC2)c3ccc(nn3)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)Nc1ccc(cc1)CC(=O)N2CCN(CC2)c3ccc(nn3)C#N |
