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E50

Summary
Name:2-chloro-5-{[(5-ethylpyrimidin-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-5-{[(5-ethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide
OpenEye OEToolkits1.7.22-chloranyl-5-[2-(5-ethylpyrimidin-2-yl)sulfanylethanoyl]benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(N)c2c(Cl)ccc(C(=O)CSc1ncc(cn1)CC)c2
InChIInChI1.03InChI=1S/C14H14ClN3O3S2/c1-2-9-6-17-14(18-7-9)22-8-12(19)10-3-4-11(15)13(5-10)23(16,20)21/h3-7H,2,8H2,1H3,(H2,16,20,21)
InChIKeyInChI1.03SAVHXXXMJJLUJH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370CCc1cnc(SCC(=O)c2ccc(Cl)c(c2)[S](N)(=O)=O)nc1
SMILESCACTVS3.370CCc1cnc(SCC(=O)c2ccc(Cl)c(c2)[S](N)(=O)=O)nc1
SMILES_CANONICALOpenEye OEToolkits1.7.2CCc1cnc(nc1)SCC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl
SMILESOpenEye OEToolkits1.7.2CCc1cnc(nc1)SCC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl

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PDB entries from 2024-07-10

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