| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H23N3O2S/c1-3-12-22(13-4-2)25(23,24)16-10-11-17-18(14-16)21-19(20-17)15-8-6-5-7-9-15/h5-11,14H,3-4,12-13H2,1-2H3,(H,20,21) |
| InChIKey | InChI | 1.03 | PFITZESRTBQCHT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCN(CCC)[S](=O)(=O)c1ccc2[nH]c(nc2c1)c3ccccc3 |
| SMILES | CACTVS | 3.385 | CCCN(CCC)[S](=O)(=O)c1ccc2[nH]c(nc2c1)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCN(CCC)S(=O)(=O)c1ccc2c(c1)nc([nH]2)c3ccccc3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCN(CCC)S(=O)(=O)c1ccc2c(c1)nc([nH]2)c3ccccc3 |
