| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H17N5O3S/c26-20(22-11-10-15-4-2-1-3-5-15)16-6-8-17(9-7-16)29(27,28)25-14-24-19-18(25)12-21-13-23-19/h1-9,12-14H,10-11H2,(H,22,26) |
| InChIKey | InChI | 1.06 | LDWRKFQHOWXYBS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCCc1ccccc1)c2ccc(cc2)[S](=O)(=O)n3cnc4ncncc34 |
| SMILES | CACTVS | 3.385 | O=C(NCCc1ccccc1)c2ccc(cc2)[S](=O)(=O)n3cnc4ncncc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCNC(=O)c2ccc(cc2)S(=O)(=O)n3cnc4c3cncn4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCNC(=O)c2ccc(cc2)S(=O)(=O)n3cnc4c3cncn4 |
