Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : W0Y    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C8H10N2O3S/c1-10-8(11)6-2-4-7(5-3-6)14(9,12)13/h2-5H,1H3,(H,10,11)(H2,9,12,13)
2 InChIKey InChI 1.03 CTDFBRMMEMHBEO-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 NS(c1ccc(cc1)C(NC)=O)(=O)=O
4 SMILES CACTVS 3.385 CNC(=O)c1ccc(cc1)[S](N)(=O)=O
5 SMILES OpenEye OEToolkits 2.0.7 CNC(=O)c1ccc(cc1)S(=O)(=O)N
6 Canonical SMILES CACTVS 3.385 CNC(=O)c1ccc(cc1)[S](N)(=O)=O
7 Canonical SMILES OpenEye OEToolkits 2.0.7 CNC(=O)c1ccc(cc1)S(=O)(=O)N