Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : P7M    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C11H6BrCl2NO3S2/c12-9-3-4-10(19-9)20(17,18)15-11(16)7-2-1-6(13)5-8(7)14/h1-5H,(H,15,16)
2 InChIKey InChI 1.03 WWONFUQGBVOKOF-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 c1c(Cl)ccc(c1Cl)C(=O)NS(c2sc(cc2)Br)(=O)=O
4 SMILES CACTVS 3.385 Clc1ccc(c(Cl)c1)C(=O)N[S](=O)(=O)c2sc(Br)cc2
5 SMILES OpenEye OEToolkits 2.0.7 c1cc(c(cc1Cl)Cl)C(=O)NS(=O)(=O)c2ccc(s2)Br
6 Canonical SMILES CACTVS 3.385 Clc1ccc(c(Cl)c1)C(=O)N[S](=O)(=O)c2sc(Br)cc2
7 Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(c(cc1Cl)Cl)C(=O)NS(=O)(=O)c2ccc(s2)Br