| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=S(=O)(O)Nc1ccc(cc1)CC(C(=O)OC)(C(=O)OC)Cc2ccccc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | COC(=O)C(Cc1ccccc1)(Cc2ccc(N[S](O)(=O)=O)cc2)C(=O)OC |
| SMILES | CACTVS | 3.341 | COC(=O)C(Cc1ccccc1)(Cc2ccc(N[S](O)(=O)=O)cc2)C(=O)OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COC(=O)C(Cc1ccccc1)(Cc2ccc(cc2)NS(=O)(=O)O)C(=O)OC |
| SMILES | OpenEye OEToolkits | 1.5.0 | COC(=O)C(Cc1ccccc1)(Cc2ccc(cc2)NS(=O)(=O)O)C(=O)OC |
| InChI | InChI | 1.03 | InChI=1S/C19H21NO7S/c1-26-17(21)19(18(22)27-2,12-14-6-4-3-5-7-14)13-15-8-10-16(11-9-15)20-28(23,24)25/h3-11,20H,12-13H2,1-2H3,(H,23,24,25) |
| InChIKey | InChI | 1.03 | SUACYXRSGYYBGT-UHFFFAOYSA-N |
