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YFO

Summary
Name:2-tert-butyl-6-(4-chlorophenyl)-4-(methanesulfonyl)pyridine
Formula:C16 H18 Cl N O2 S
Formal charge:0
Formula weight:323.838 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-tert-butyl-6-(4-chlorophenyl)-4-(methanesulfonyl)pyridine
OpenEye OEToolkits2.0.72-~{tert}-butyl-6-(4-chlorophenyl)-4-methylsulfonyl-pyridine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CC(C)(C)c1cc(cc(n1)c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI1.06InChI=1S/C16H18ClNO2S/c1-16(2,3)15-10-13(21(4,19)20)9-14(18-15)11-5-7-12(17)8-6-11/h5-10H,1-4H3
InChIKeyInChI1.06WPGVJDOOLUMTSJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)(C)c1cc(cc(n1)c2ccc(Cl)cc2)[S](C)(=O)=O
SMILESCACTVS3.385CC(C)(C)c1cc(cc(n1)c2ccc(Cl)cc2)[S](C)(=O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(C)(C)c1cc(cc(n1)c2ccc(cc2)Cl)S(=O)(=O)C
SMILESOpenEye OEToolkits2.0.7CC(C)(C)c1cc(cc(n1)c2ccc(cc2)Cl)S(=O)(=O)C

251801

PDB entries from 2026-04-08

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