| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C21H26N2O5S/c1-27-17-8-10-18(11-9-17)29(25,26)22-19-15-16(21(24)28-2)7-12-20(19)23-13-5-3-4-6-14-23/h7-12,15,22H,3-6,13-14H2,1-2H3 |
| InChIKey | InChI | 1.03 | KUHNIQWJBKIEFH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1ccc(N2CCCCCC2)c(N[S](=O)(=O)c3ccc(OC)cc3)c1 |
| SMILES | CACTVS | 3.385 | COC(=O)c1ccc(N2CCCCCC2)c(N[S](=O)(=O)c3ccc(OC)cc3)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1)S(=O)(=O)Nc2cc(ccc2N3CCCCCC3)C(=O)OC |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1)S(=O)(=O)Nc2cc(ccc2N3CCCCCC3)C(=O)OC |
