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4VK

Summary
Name:N-{[3'-(hydroxymethyl)biphenyl-4-yl]methyl}benzenesulfonamide
Formula:C20 H19 N O3 S
Formal charge:0
Formula weight:353.435 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-{[3'-(hydroxymethyl)biphenyl-4-yl]methyl}benzenesulfonamide
OpenEye OEToolkits1.9.2N-[[4-[3-(hydroxymethyl)phenyl]phenyl]methyl]benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c3cc(S(=O)(=O)NCc2ccc(c1cc(ccc1)CO)cc2)ccc3
InChIInChI1.03InChI=1S/C20H19NO3S/c22-15-17-5-4-6-19(13-17)18-11-9-16(10-12-18)14-21-25(23,24)20-7-2-1-3-8-20/h1-13,21-22H,14-15H2
InChIKeyInChI1.03COEMTPKQUSKJIS-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OCc1cccc(c1)c2ccc(CN[S](=O)(=O)c3ccccc3)cc2
SMILESCACTVS3.385OCc1cccc(c1)c2ccc(CN[S](=O)(=O)c3ccccc3)cc2
SMILES_CANONICALOpenEye OEToolkits1.9.2c1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)c3cccc(c3)CO
SMILESOpenEye OEToolkits1.9.2c1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)c3cccc(c3)CO

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PDB entries from 2024-07-10

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