| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c1cc(ccc1[C@H]=C(C(=O)Nc2ccc(cc2)S(N)(=O)=O)C(C)=O)OC |
| InChI | InChI | 1.03 | InChI=1S/C18H18N2O5S/c1-12(21)17(11-13-3-7-15(25-2)8-4-13)18(22)20-14-5-9-16(10-6-14)26(19,23)24/h3-11H,1-2H3,(H,20,22)(H2,19,23,24)/b17-11- |
| InChIKey | InChI | 1.03 | BNJYMFAWZKZPKJ-BOPFTXTBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)/C=C(/C(C)=O)C(=O)Nc2ccc(cc2)[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1)C=C(C(C)=O)C(=O)Nc2ccc(cc2)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)/C(=C/c1ccc(cc1)OC)/C(=O)Nc2ccc(cc2)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)C(=Cc1ccc(cc1)OC)C(=O)Nc2ccc(cc2)S(=O)(=O)N |
