| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=S(=O)(Nc3ccc4N=C(C1=C(O)C(=NN(C1=O)CCC(C)C)c2sccc2)CS(=O)(=O)c4c3)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)CCN1N=C(C(=C(C2=Nc3ccc(N[S](C)(=O)=O)cc3[S](=O)(=O)C2)C1=O)O)c4sccc4 |
| SMILES | CACTVS | 3.341 | CC(C)CCN1N=C(C(=C(C2=Nc3ccc(N[S](C)(=O)=O)cc3[S](=O)(=O)C2)C1=O)O)c4sccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)CCN1C(=O)C(=C(C(=N1)c2cccs2)O)C3=Nc4ccc(cc4S(=O)(=O)C3)NS(=O)(=O)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)CCN1C(=O)C(=C(C(=N1)c2cccs2)O)C3=Nc4ccc(cc4S(=O)(=O)C3)NS(=O)(=O)C |
| InChI | InChI | 1.03 | InChI=1S/C22H24N4O6S3/c1-13(2)8-9-26-22(28)19(21(27)20(24-26)17-5-4-10-33-17)16-12-35(31,32)18-11-14(25-34(3,29)30)6-7-15(18)23-16/h4-7,10-11,13,25,27H,8-9,12H2,1-3H3 |
| InChIKey | InChI | 1.03 | KLPXSYJOJCQFSY-UHFFFAOYSA-N |
