Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : O9V    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C17H19FN2O4S/c1-3-9-24-13-10-12(2)16(18)15(11-13)17(21)19-20-25(22,23)14-7-5-4-6-8-14/h4-8,10-11,20H,3,9H2,1-2H3,(H,19,21)
2 InChIKey InChI 1.03 GOFZTZBCDBZRIA-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 C(=O)(c1c(c(cc(c1)OCCC)C)F)NNS(c2ccccc2)(=O)=O
4 SMILES CACTVS 3.385 CCCOc1cc(C)c(F)c(c1)C(=O)NN[S](=O)(=O)c2ccccc2
5 SMILES OpenEye OEToolkits 2.0.7 CCCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccccc2)F)C
6 Canonical SMILES CACTVS 3.385 CCCOc1cc(C)c(F)c(c1)C(=O)NN[S](=O)(=O)c2ccccc2
7 Canonical SMILES OpenEye OEToolkits 2.0.7 CCCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccccc2)F)C