| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | CN(C)S(=O)(=O)c1cccc(c1)c1c[NH]c2cnc(cc21)NC(=O)C1CC1 |
| InChI | InChI | 1.06 | InChI=1S/C19H20N4O3S/c1-23(2)27(25,26)14-5-3-4-13(8-14)16-10-20-17-11-21-18(9-15(16)17)22-19(24)12-6-7-12/h3-5,8-12,20H,6-7H2,1-2H3,(H,21,22,24) |
| InChIKey | InChI | 1.06 | MWLYDRPVHZEGMX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)[S](=O)(=O)c1cccc(c1)c2c[nH]c3cnc(NC(=O)C4CC4)cc23 |
| SMILES | CACTVS | 3.385 | CN(C)[S](=O)(=O)c1cccc(c1)c2c[nH]c3cnc(NC(=O)C4CC4)cc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)S(=O)(=O)c1cccc(c1)c2c[nH]c3c2cc(nc3)NC(=O)C4CC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)S(=O)(=O)c1cccc(c1)c2c[nH]c3c2cc(nc3)NC(=O)C4CC4 |
