| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c(c3c(c(c1)NS(=O)(=O)c2ccc(cc2)CN)ncc3C#N)C |
| InChI | InChI | 1.03 | InChI=1S/C17H16N4O2S/c1-11-2-7-15(17-16(11)13(9-19)10-20-17)21-24(22,23)14-5-3-12(8-18)4-6-14/h2-7,10,20-21H,8,18H2,1H3 |
| InChIKey | InChI | 1.03 | YYJILEGPDDMZAV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(N[S](=O)(=O)c2ccc(CN)cc2)c3[nH]cc(C#N)c13 |
| SMILES | CACTVS | 3.385 | Cc1ccc(N[S](=O)(=O)c2ccc(CN)cc2)c3[nH]cc(C#N)c13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c2c1c(c[nH]2)C#N)NS(=O)(=O)c3ccc(cc3)CN |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c2c1c(c[nH]2)C#N)NS(=O)(=O)c3ccc(cc3)CN |
