| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C21H27N3O5S/c1-4-24(5-2)30(28,29)14-10-11-17(25)16(12-14)23-21(27)20-15-8-6-7-9-18(26)19(15)13(3)22-20/h10-12,22,25H,4-9H2,1-3H3,(H,23,27) |
| InChIKey | InChI | 1.03 | RFIBRDFTONIULJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN(CC)[S](=O)(=O)c1ccc(O)c(NC(=O)c2[nH]c(C)c3C(=O)CCCCc23)c1 |
| SMILES | CACTVS | 3.385 | CCN(CC)[S](=O)(=O)c1ccc(O)c(NC(=O)c2[nH]c(C)c3C(=O)CCCCc23)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)c2c3c(c([nH]2)C)C(=O)CCCC3)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)c2c3c(c([nH]2)C)C(=O)CCCC3)O |
