Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C22H17Cl2N3O4S/c1-10-16(23)17(24)19(25-10)20(28)27-22-26-18-14(8-13(21(29)30)9-15(18)32-22)31-11(2)12-6-4-3-5-7-12/h3-9,11,25H,1-2H3,(H,29,30)(H,26,27,28)/t11-/m0/s1 |
InChIKey | InChI | 1.06 | LXTDDWSYQKHDKA-NSHDSACASA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](Oc1cc(cc2sc(NC(=O)c3[nH]c(C)c(Cl)c3Cl)nc12)C(O)=O)c4ccccc4 |
SMILES | CACTVS | 3.385 | C[CH](Oc1cc(cc2sc(NC(=O)c3[nH]c(C)c(Cl)c3Cl)nc12)C(O)=O)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(c(c([nH]1)C(=O)Nc2nc3c(cc(cc3s2)C(=O)O)O[C@@H](C)c4ccccc4)Cl)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(c(c([nH]1)C(=O)Nc2nc3c(cc(cc3s2)C(=O)O)OC(C)c4ccccc4)Cl)Cl |