| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OC(C)C)NS(=O)(=O)c3cc(C1=Nc2c(C(=O)N1)n(nc2CCC)C)c(OCC)cc3 |
| InChI | InChI | 1.03 | InChI=1S/C21H27N5O6S/c1-6-8-15-17-18(26(5)24-15)20(27)23-19(22-17)14-11-13(9-10-16(14)31-7-2)33(29,30)25-21(28)32-12(3)4/h9-12H,6-8H2,1-5H3,(H,25,28)(H,22,23,27) |
| InChIKey | InChI | 1.03 | RGTRFWTZGHUUBF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCCc1nn(C)c2C(=O)NC(=Nc12)c3cc(ccc3OCC)[S](=O)(=O)NC(=O)OC(C)C |
| SMILES | CACTVS | 3.370 | CCCc1nn(C)c2C(=O)NC(=Nc12)c3cc(ccc3OCC)[S](=O)(=O)NC(=O)OC(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCc1c2c(n(n1)C)C(=O)NC(=N2)c3cc(ccc3OCC)S(=O)(=O)NC(=O)OC(C)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCc1c2c(n(n1)C)C(=O)NC(=N2)c3cc(ccc3OCC)S(=O)(=O)NC(=O)OC(C)C |
