| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=S(=O)(c2cc(C1=NC(=C(Br)C(=O)N1)CCCCCCCC)c(OCC)cc2)N3CCN(C)CC3 |
| InChI | InChI | 1.03 | InChI=1S/C25H37BrN4O4S/c1-4-6-7-8-9-10-11-21-23(26)25(31)28-24(27-21)20-18-19(12-13-22(20)34-5-2)35(32,33)30-16-14-29(3)15-17-30/h12-13,18H,4-11,14-17H2,1-3H3,(H,27,28,31) |
| InChIKey | InChI | 1.03 | RHPCTAOHQBBFKL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCCCCCCCC1=C(Br)C(=O)NC(=N1)c2cc(ccc2OCC)[S](=O)(=O)N3CCN(C)CC3 |
| SMILES | CACTVS | 3.370 | CCCCCCCCC1=C(Br)C(=O)NC(=N1)c2cc(ccc2OCC)[S](=O)(=O)N3CCN(C)CC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCCCCCC1=C(C(=O)NC(=N1)c2cc(ccc2OCC)S(=O)(=O)N3CCN(CC3)C)Br |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCCCCC1=C(C(=O)NC(=N1)c2cc(ccc2OCC)S(=O)(=O)N3CCN(CC3)C)Br |
