| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H21ClN4O4S/c1-23(29(3,27)28)11-14-8-12(4-6-16(14)20)15(10-19(25)26)13-5-7-18-17(9-13)21-22-24(18)2/h4-9,15H,10-11H2,1-3H3,(H,25,26)/t15-/m0/s1 |
| InChIKey | InChI | 1.03 | USDLDJOPUXHGLC-HNNXBMFYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(Cc1cc(ccc1Cl)[C@H](CC(O)=O)c2ccc3n(C)nnc3c2)[S](C)(=O)=O |
| SMILES | CACTVS | 3.385 | CN(Cc1cc(ccc1Cl)[CH](CC(O)=O)c2ccc3n(C)nnc3c2)[S](C)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cn1c2ccc(cc2nn1)[C@@H](CC(=O)O)c3ccc(c(c3)CN(C)S(=O)(=O)C)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cn1c2ccc(cc2nn1)C(CC(=O)O)c3ccc(c(c3)CN(C)S(=O)(=O)C)Cl |
