| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C(NO)CN(CCO)S(=O)(=O)c2ccc(c1ccccc1)cc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | OCCN(CC(=O)NO)[S](=O)(=O)c1ccc(cc1)c2ccccc2 |
| SMILES | CACTVS | 3.341 | OCCN(CC(=O)NO)[S](=O)(=O)c1ccc(cc1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)c2ccc(cc2)S(=O)(=O)N(CCO)CC(=O)NO |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)c2ccc(cc2)S(=O)(=O)N(CCO)CC(=O)NO |
| InChI | InChI | 1.03 | InChI=1S/C16H18N2O5S/c19-11-10-18(12-16(20)17-21)24(22,23)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,19,21H,10-12H2,(H,17,20) |
| InChIKey | InChI | 1.03 | QQDWEVONJRXVDB-UHFFFAOYSA-N |
