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Summary
Name:~{N}-[[3-methyl-4-(4-methylsulfonylphenyl)phenyl]methyl]-~{N}-(2-methylpropyl)-1-phenyl-methanesulfonamide
Formula:C26 H31 N O4 S2
Formal charge:0
Formula weight:485.659 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.5~{N}-[[3-methyl-4-(4-methylsulfonylphenyl)phenyl]methyl]-~{N}-(2-methylpropyl)-1-phenyl-methanesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C26H31NO4S2/c1-20(2)17-27(33(30,31)19-22-8-6-5-7-9-22)18-23-10-15-26(21(3)16-23)24-11-13-25(14-12-24)32(4,28)29/h5-16,20H,17-19H2,1-4H3
InChIKeyInChI1.03CMVNZKHEXHXTEM-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)CN(Cc1ccc(c(C)c1)c2ccc(cc2)[S](C)(=O)=O)[S](=O)(=O)Cc3ccccc3
SMILESCACTVS3.385CC(C)CN(Cc1ccc(c(C)c1)c2ccc(cc2)[S](C)(=O)=O)[S](=O)(=O)Cc3ccccc3
SMILES_CANONICALOpenEye OEToolkits2.0.5Cc1cc(ccc1c2ccc(cc2)S(=O)(=O)C)CN(CC(C)C)S(=O)(=O)Cc3ccccc3
SMILESOpenEye OEToolkits2.0.5Cc1cc(ccc1c2ccc(cc2)S(=O)(=O)C)CN(CC(C)C)S(=O)(=O)Cc3ccccc3

223166

PDB entries from 2024-07-31

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