| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=S(=O)(N(C1=C(N)N(C(=O)NC1=O)Cc2ccccc2)C)CCCC |
| InChI | InChI | 1.03 | InChI=1S/C16H22N4O4S/c1-3-4-10-25(23,24)19(2)13-14(17)20(16(22)18-15(13)21)11-12-8-6-5-7-9-12/h5-9H,3-4,10-11,17H2,1-2H3,(H,18,21,22) |
| InChIKey | InChI | 1.03 | ILRSJTONHWLJFH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC[S](=O)(=O)N(C)C1=C(N)N(Cc2ccccc2)C(=O)NC1=O |
| SMILES | CACTVS | 3.385 | CCCC[S](=O)(=O)N(C)C1=C(N)N(Cc2ccccc2)C(=O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCCCS(=O)(=O)N(C)C1=C(N(C(=O)NC1=O)Cc2ccccc2)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCCCS(=O)(=O)N(C)C1=C(N(C(=O)NC1=O)Cc2ccccc2)N |
