| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C27H30N2O4S/c1-5-29-25-13-9-20(15-23(25)24-16-21(33-18(3)4)10-14-26(24)29)27(30)28-17-19-7-11-22(12-8-19)34(31,32)6-2/h7-16,18H,5-6,17H2,1-4H3,(H,28,30) |
| InChIKey | InChI | 1.03 | ATOIOYVURMTRSQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCn1c2ccc(OC(C)C)cc2c3cc(ccc13)C(=O)NCc4ccc(cc4)[S](=O)(=O)CC |
| SMILES | CACTVS | 3.385 | CCn1c2ccc(OC(C)C)cc2c3cc(ccc13)C(=O)NCc4ccc(cc4)[S](=O)(=O)CC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCn1c2ccc(cc2c3c1ccc(c3)OC(C)C)C(=O)NCc4ccc(cc4)S(=O)(=O)CC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCn1c2ccc(cc2c3c1ccc(c3)OC(C)C)C(=O)NCc4ccc(cc4)S(=O)(=O)CC |
