| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NO)C2N(S(=O)(=O)CCc1ccccc1)CCC2 |
| SMILES_CANONICAL | CACTVS | 3.370 | ONC(=O)[C@H]1CCCN1[S](=O)(=O)CCc2ccccc2 |
| SMILES | CACTVS | 3.370 | ONC(=O)[CH]1CCCN1[S](=O)(=O)CCc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)CCS(=O)(=O)N2CCC[C@@H]2C(=O)NO |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)CCS(=O)(=O)N2CCCC2C(=O)NO |
| InChI | InChI | 1.03 | InChI=1S/C13H18N2O4S/c16-13(14-17)12-7-4-9-15(12)20(18,19)10-8-11-5-2-1-3-6-11/h1-3,5-6,12,17H,4,7-10H2,(H,14,16)/t12-/m1/s1 |
| InChIKey | InChI | 1.03 | FTQOZDRDOVWSBK-GFCCVEGCSA-N |
