| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C(NO)CN(S(=O)(=O)c1ccc(OC)cc1)CC(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)CC(=O)NO |
| SMILES | CACTVS | 3.341 | COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)CC(=O)NO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)C[N@](CC(=O)NO)S(=O)(=O)c1ccc(cc1)OC |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(cc1)OC |
| InChI | InChI | 1.03 | InChI=1S/C13H20N2O5S/c1-10(2)8-15(9-13(16)14-17)21(18,19)12-6-4-11(20-3)5-7-12/h4-7,10,17H,8-9H2,1-3H3,(H,14,16) |
| InChIKey | InChI | 1.03 | JIRXORZYIXSWOB-UHFFFAOYSA-N |
