| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=S(=O)(c1cc(Br)cnc1N)N(CC(=O)Nc2ccc(OC)cc2)C |
| InChI | InChI | 1.03 | InChI=1S/C15H17BrN4O4S/c1-20(25(22,23)13-7-10(16)8-18-15(13)17)9-14(21)19-11-3-5-12(24-2)6-4-11/h3-8H,9H2,1-2H3,(H2,17,18)(H,19,21) |
| InChIKey | InChI | 1.03 | HMNYMNWOUAJOIH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(NC(=O)CN(C)[S](=O)(=O)c2cc(Br)cnc2N)cc1 |
| SMILES | CACTVS | 3.385 | COc1ccc(NC(=O)CN(C)[S](=O)(=O)c2cc(Br)cnc2N)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[N@@](CC(=O)Nc1ccc(cc1)OC)S(=O)(=O)c2cc(cnc2N)Br |
| SMILES | OpenEye OEToolkits | 1.7.6 | CN(CC(=O)Nc1ccc(cc1)OC)S(=O)(=O)c2cc(cnc2N)Br |
