| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=S(=O)(c1cccc(c1)N3C(=O)C(C3c2ccccc2OC)(C)C)C |
| InChI | InChI | 1.03 | InChI=1S/C19H21NO4S/c1-19(2)17(15-10-5-6-11-16(15)24-3)20(18(19)21)13-8-7-9-14(12-13)25(4,22)23/h5-12,17H,1-4H3/t17-/m0/s1 |
| InChIKey | InChI | 1.03 | JTEHJTAGXBHCOJ-KRWDZBQOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccccc1[C@@H]2N(c3cccc(c3)[S](C)(=O)=O)C(=O)C2(C)C |
| SMILES | CACTVS | 3.385 | COc1ccccc1[CH]2N(c3cccc(c3)[S](C)(=O)=O)C(=O)C2(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1([C@@H](N(C1=O)c2cccc(c2)S(=O)(=O)C)c3ccccc3OC)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1(C(N(C1=O)c2cccc(c2)S(=O)(=O)C)c3ccccc3OC)C |
