| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C3SC=C(c2cc(NS(=O)(=O)c1sccc1)cc(NC(=O)CCC)c2)N3 |
| InChI | InChI | 1.03 | InChI=1S/C17H17N3O4S3/c1-2-4-15(21)18-12-7-11(14-10-26-17(22)19-14)8-13(9-12)20-27(23,24)16-5-3-6-25-16/h3,5-10,20H,2,4H2,1H3,(H,18,21)(H,19,22) |
| InChIKey | InChI | 1.03 | KWWYOIOTRAVAHK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCCC(=O)Nc1cc(N[S](=O)(=O)c2sccc2)cc(c1)C3=CSC(=O)N3 |
| SMILES | CACTVS | 3.370 | CCCC(=O)Nc1cc(N[S](=O)(=O)c2sccc2)cc(c1)C3=CSC(=O)N3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCC(=O)Nc1cc(cc(c1)NS(=O)(=O)c2cccs2)C3=CSC(=O)N3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCC(=O)Nc1cc(cc(c1)NS(=O)(=O)c2cccs2)C3=CSC(=O)N3 |
