| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(c1c(c(c(n1)C)C(=O)C)CC)Nc2cc(ccc2O)S(=O)(=O)N(CC)CC |
| InChI | InChI | 1.03 | InChI=1S/C20H27N3O5S/c1-6-15-18(13(5)24)12(4)21-19(15)20(26)22-16-11-14(9-10-17(16)25)29(27,28)23(7-2)8-3/h9-11,21,25H,6-8H2,1-5H3,(H,22,26) |
| InChIKey | InChI | 1.03 | DPBKLIVPNYGQQG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN(CC)[S](=O)(=O)c1ccc(O)c(NC(=O)c2[nH]c(C)c(C(C)=O)c2CC)c1 |
| SMILES | CACTVS | 3.385 | CCN(CC)[S](=O)(=O)c1ccc(O)c(NC(=O)c2[nH]c(C)c(C(C)=O)c2CC)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCc1c(c([nH]c1C(=O)Nc2cc(ccc2O)S(=O)(=O)N(CC)CC)C)C(=O)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCc1c(c([nH]c1C(=O)Nc2cc(ccc2O)S(=O)(=O)N(CC)CC)C)C(=O)C |
