Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : UE7    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.06 InChI=1S/C9H13N3O3S/c1-2-11-9(13)12-7-3-5-8(6-4-7)16(10,14)15/h3-6H,2H2,1H3,(H2,10,14,15)(H2,11,12,13)
2 InChIKey InChI 1.06 MMKFCCLMBRGOIK-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 CCNC(=O)Nc1ccc(cc1)[S](N)(=O)=O
4 SMILES OpenEye OEToolkits 2.0.7 CCNC(=O)Nc1ccc(cc1)S(=O)(=O)N
5 Canonical SMILES CACTVS 3.385 CCNC(=O)Nc1ccc(cc1)[S](N)(=O)=O
6 Canonical SMILES OpenEye OEToolkits 2.0.7 CCNC(=O)Nc1ccc(cc1)S(=O)(=O)N