Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 2BI    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C10H7Cl3N2O3S/c1-5-2-10(14-18-5)15-19(16,17)9-4-7(12)6(11)3-8(9)13/h2-4H,1H3,(H,14,15)
2 InChIKey InChI 1.03 HFFXLYHRNRKAPM-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O=S(=O)(Nc1noc(c1)C)c2cc(Cl)c(Cl)cc2Cl
4 SMILES CACTVS 3.370 Cc1onc(N[S](=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1
5 SMILES OpenEye OEToolkits 1.7.6 Cc1cc(no1)NS(=O)(=O)c2cc(c(cc2Cl)Cl)Cl
6 Canonical SMILES CACTVS 3.370 Cc1onc(N[S](=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1
7 Canonical SMILES OpenEye OEToolkits 1.7.6 Cc1cc(no1)NS(=O)(=O)c2cc(c(cc2Cl)Cl)Cl