Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : SZG    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C20H13ClF4N2O4S/c21-17-6-5-16(10-18(17)26-19(28)11-7-12(22)9-13(23)8-11)32(29,30)27-14-1-3-15(4-2-14)31-20(24)25/h1-10,20,27H,(H,26,28)
2 InChIKey InChI 1.03 NAGQOJQGBKEXGZ-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 FC(F)Oc1ccc(N[S](=O)(=O)c2ccc(Cl)c(NC(=O)c3cc(F)cc(F)c3)c2)cc1
4 SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1NS(=O)(=O)c2ccc(c(c2)NC(=O)c3cc(cc(c3)F)F)Cl)OC(F)F
5 Canonical SMILES CACTVS 3.385 FC(F)Oc1ccc(N[S](=O)(=O)c2ccc(Cl)c(NC(=O)c3cc(F)cc(F)c3)c2)cc1
6 Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1NS(=O)(=O)c2ccc(c(c2)NC(=O)c3cc(cc(c3)F)F)Cl)OC(F)F