| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=S(=O)(N(CC(O)(c1ccccc1)C)C2CC2)c3ccc(O)cc3 |
| InChI | InChI | 1.03 | InChI=1S/C18H21NO4S/c1-18(21,14-5-3-2-4-6-14)13-19(15-7-8-15)24(22,23)17-11-9-16(20)10-12-17/h2-6,9-12,15,20-21H,7-8,13H2,1H3/t18-/m0/s1 |
| InChIKey | InChI | 1.03 | GYHSDCAQMDKVKI-SFHVURJKSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@](O)(CN(C1CC1)[S](=O)(=O)c2ccc(O)cc2)c3ccccc3 |
| SMILES | CACTVS | 3.370 | C[C](O)(CN(C1CC1)[S](=O)(=O)c2ccc(O)cc2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C[C@](CN(C1CC1)S(=O)(=O)c2ccc(cc2)O)(c3ccccc3)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | CC(CN(C1CC1)S(=O)(=O)c2ccc(cc2)O)(c3ccccc3)O |
