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URH

Summary
Name:~{N}-[[4-(phenylcarbonyl)phenyl]methyl]-4-sulfamoyl-benzamide
Formula:C21 H18 N2 O4 S
Formal charge:0
Formula weight:394.444 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-[[4-(phenylcarbonyl)phenyl]methyl]-4-sulfamoyl-benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C21H18N2O4S/c22-28(26,27)19-12-10-18(11-13-19)21(25)23-14-15-6-8-17(9-7-15)20(24)16-4-2-1-3-5-16/h1-13H,14H2,(H,23,25)(H2,22,26,27)
InChIKeyInChI1.03DCTGUISEDAHGJU-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2ccc(cc2)C(=O)c3ccccc3
SMILESCACTVS3.385N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2ccc(cc2)C(=O)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)C(=O)c2ccc(cc2)CNC(=O)c3ccc(cc3)S(=O)(=O)N
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)C(=O)c2ccc(cc2)CNC(=O)c3ccc(cc3)S(=O)(=O)N

223532

PDB entries from 2024-08-07

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