Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 4J8    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
2 InChIKey InChI 1.03 LMYRWZFENFIFIT-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 c1(ccc(S(=O)(=O)N)cc1)C
4 SMILES CACTVS 3.385 Cc1ccc(cc1)[S](N)(=O)=O
5 SMILES OpenEye OEToolkits 1.9.2 Cc1ccc(cc1)S(=O)(=O)N
6 Canonical SMILES CACTVS 3.385 Cc1ccc(cc1)[S](N)(=O)=O
7 Canonical SMILES OpenEye OEToolkits 1.9.2 Cc1ccc(cc1)S(=O)(=O)N