| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Cc1cc(Br)ccc1S(C)(=O)=O)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C15H19BrN2O4S/c1-23(21,22)13-5-4-12(16)7-11(13)8-14(19)18-6-2-3-10(9-18)15(17)20/h4-5,7,10H,2-3,6,8-9H2,1H3,(H2,17,20)/t10-/m0/s1 |
| InChIKey | InChI | 1.06 | YUPOYLBRRMVTGP-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)c1ccc(Br)cc1CC(=O)N2CCC[C@@H](C2)C(N)=O |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)c1ccc(Br)cc1CC(=O)N2CCC[CH](C2)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CS(=O)(=O)c1ccc(cc1CC(=O)N2CCC[C@@H](C2)C(=O)N)Br |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CS(=O)(=O)c1ccc(cc1CC(=O)N2CCCC(C2)C(=O)N)Br |
