| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Cc1ccccc1S(C)(=O)=O)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C15H20N2O4S/c1-22(20,21)13-7-3-2-5-11(13)9-14(18)17-8-4-6-12(10-17)15(16)19/h2-3,5,7,12H,4,6,8-10H2,1H3,(H2,16,19)/t12-/m0/s1 |
| InChIKey | InChI | 1.06 | PSAGHVQLKXCCTK-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)c1ccccc1CC(=O)N2CCC[C@@H](C2)C(N)=O |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)c1ccccc1CC(=O)N2CCC[CH](C2)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CS(=O)(=O)c1ccccc1CC(=O)N2CCC[C@@H](C2)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CS(=O)(=O)c1ccccc1CC(=O)N2CCCC(C2)C(=O)N |
