| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=S(=O)(NCC1CC1)c2cc(c(OC)cc2)Nc3ncc(o3)c5cccc(c4cccnc4)c5 |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc(cc1Nc2oc(cn2)c3cccc(c3)c4cccnc4)[S](=O)(=O)NCC5CC5 |
| SMILES | CACTVS | 3.341 | COc1ccc(cc1Nc2oc(cn2)c3cccc(c3)c4cccnc4)[S](=O)(=O)NCC5CC5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1ccc(cc1Nc2ncc(o2)c3cccc(c3)c4cccnc4)S(=O)(=O)NCC5CC5 |
| SMILES | OpenEye OEToolkits | 1.5.0 | COc1ccc(cc1Nc2ncc(o2)c3cccc(c3)c4cccnc4)S(=O)(=O)NCC5CC5 |
| InChI | InChI | 1.03 | InChI=1S/C25H24N4O4S/c1-32-23-10-9-21(34(30,31)28-14-17-7-8-17)13-22(23)29-25-27-16-24(33-25)19-5-2-4-18(12-19)20-6-3-11-26-15-20/h2-6,9-13,15-17,28H,7-8,14H2,1H3,(H,27,29) |
| InChIKey | InChI | 1.03 | KRGKAARWVPUWSY-UHFFFAOYSA-N |
