Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : SZD    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C20H13F5N2O4S/c21-13-8-12(9-14(22)10-13)19(28)26-16-2-1-3-18(11-16)32(29,30)27-15-4-6-17(7-5-15)31-20(23,24)25/h1-11,27H,(H,26,28)
2 InChIKey InChI 1.03 VSBQYLPAMTYZNU-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 Fc1cc(F)cc(c1)C(=O)Nc2cccc(c2)[S](=O)(=O)Nc3ccc(OC(F)(F)F)cc3
4 SMILES OpenEye OEToolkits 2.0.7 c1cc(cc(c1)S(=O)(=O)Nc2ccc(cc2)OC(F)(F)F)NC(=O)c3cc(cc(c3)F)F
5 Canonical SMILES CACTVS 3.385 Fc1cc(F)cc(c1)C(=O)Nc2cccc(c2)[S](=O)(=O)Nc3ccc(OC(F)(F)F)cc3
6 Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(cc(c1)S(=O)(=O)Nc2ccc(cc2)OC(F)(F)F)NC(=O)c3cc(cc(c3)F)F