| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C22H21N5O2S/c1-27(2)17-6-4-5-15(11-17)18-12-16(13-19-22(18)25-10-9-24-19)26-20-14-23-8-7-21(20)30(3,28)29/h4-14,26H,1-3H3 |
| InChIKey | InChI | 1.03 | MGSNILVOZHNEMV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)c1cccc(c1)c2cc(Nc3cnccc3[S](C)(=O)=O)cc4nccnc24 |
| SMILES | CACTVS | 3.385 | CN(C)c1cccc(c1)c2cc(Nc3cnccc3[S](C)(=O)=O)cc4nccnc24 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN(C)c1cccc(c1)c2cc(cc3c2nccn3)Nc4cnccc4S(=O)(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN(C)c1cccc(c1)c2cc(cc3c2nccn3)Nc4cnccc4S(=O)(=O)C |
