| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(c1cc(C)c(N)nc1)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C12H18N4O3S/c1-8-5-10(6-15-11(8)13)20(18,19)16-4-2-3-9(7-16)12(14)17/h5-6,9H,2-4,7H2,1H3,(H2,13,15)(H2,14,17)/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | YMLLLXRQGHPOSV-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(cnc1N)[S](=O)(=O)N2CCC[C@@H](C2)C(N)=O |
| SMILES | CACTVS | 3.385 | Cc1cc(cnc1N)[S](=O)(=O)N2CCC[CH](C2)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(cnc1N)S(=O)(=O)N2CCC[C@@H](C2)C(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(cnc1N)S(=O)(=O)N2CCCC(C2)C(=O)N |
