Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : I7A    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
2 InChIKey InChI 1.03 GJQPMPFPNINLKP-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 Clc1c(cc(cc1Cl)S(=O)(=O)N)S(=O)(=O)N
4 SMILES CACTVS 3.341 N[S](=O)(=O)c1cc(Cl)c(Cl)c(c1)[S](N)(=O)=O
5 SMILES OpenEye OEToolkits 1.5.0 c1c(cc(c(c1S(=O)(=O)N)Cl)Cl)S(=O)(=O)N
6 Canonical SMILES CACTVS 3.341 N[S](=O)(=O)c1cc(Cl)c(Cl)c(c1)[S](N)(=O)=O
7 Canonical SMILES OpenEye OEToolkits 1.5.0 c1c(cc(c(c1S(=O)(=O)N)Cl)Cl)S(=O)(=O)N