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E1E

Summary
Name:2-chloro-4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide
Formula:C14 H14 Cl N3 O3 S2
Formal charge:0
Formula weight:371.862 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-chloro-4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide
OpenEye OEToolkits1.7.62-chloranyl-4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyl]benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(N)c2ccc(C(=O)CSc1nc(cc(n1)C)C)cc2Cl
InChIInChI1.03InChI=1S/C14H14ClN3O3S2/c1-8-5-9(2)18-14(17-8)22-7-12(19)10-3-4-13(11(15)6-10)23(16,20)21/h3-6H,7H2,1-2H3,(H2,16,20,21)
InChIKeyInChI1.03XWPREILQIYDJMT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370Cc1cc(C)nc(SCC(=O)c2ccc(c(Cl)c2)[S](N)(=O)=O)n1
SMILESCACTVS3.370Cc1cc(C)nc(SCC(=O)c2ccc(c(Cl)c2)[S](N)(=O)=O)n1
SMILES_CANONICALOpenEye OEToolkits1.7.6Cc1cc(nc(n1)SCC(=O)c2ccc(c(c2)Cl)S(=O)(=O)N)C
SMILESOpenEye OEToolkits1.7.6Cc1cc(nc(n1)SCC(=O)c2ccc(c(c2)Cl)S(=O)(=O)N)C

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PDB entries from 2024-08-07

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