| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=S(=O)(Nc1cccnc1OC)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C12H18N4O4S/c1-20-12-10(5-2-6-14-12)15-21(18,19)16-7-3-4-9(8-16)11(13)17/h2,5-6,9,15H,3-4,7-8H2,1H3,(H2,13,17)/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | BWOXLKDHBJDGAX-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ncccc1N[S](=O)(=O)N2CCC[C@@H](C2)C(N)=O |
| SMILES | CACTVS | 3.385 | COc1ncccc1N[S](=O)(=O)N2CCC[CH](C2)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | COc1c(cccn1)NS(=O)(=O)N2CCC[C@@H](C2)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | COc1c(cccn1)NS(=O)(=O)N2CCCC(C2)C(=O)N |
