| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H15N4O4S/c21-25(22)24-12-3-1-2-11(8-12)13-9-17-15-14(13)16(19-10-18-15)20-4-6-23-7-5-20/h1-3,8-10H,4-7H2,(H,17,18,19)/q+1 |
| InChIKey | InChI | 1.06 | WLTPUCQGHKJLHH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=[S+](=O)Oc1cccc(c1)c2c[nH]c3ncnc(N4CCOCC4)c23 |
| SMILES | CACTVS | 3.385 | O=[S+](=O)Oc1cccc(c1)c2c[nH]c3ncnc(N4CCOCC4)c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)O[S+](=O)=O)c2c[nH]c3c2c(ncn3)N4CCOCC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)O[S+](=O)=O)c2c[nH]c3c2c(ncn3)N4CCOCC4 |
