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J46

Summary
Name:4-bromanyl-N-(4-bromophenyl)-3-[(phenylmethyl)sulfamoyl]benzamide
Formula:C20 H16 Br2 N2 O3 S
Formal charge:0
Formula weight:524.226 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.74-bromanyl-~{N}-(4-bromophenyl)-3-[(phenylmethyl)sulfamoyl]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C20H16Br2N2O3S/c21-16-7-9-17(10-8-16)24-20(25)15-6-11-18(22)19(12-15)28(26,27)23-13-14-4-2-1-3-5-14/h1-12,23H,13H2,(H,24,25)
InChIKeyInChI1.03SWKAVEUTKGKHSR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Brc1ccc(NC(=O)c2ccc(Br)c(c2)[S](=O)(=O)NCc3ccccc3)cc1
SMILESCACTVS3.385Brc1ccc(NC(=O)c2ccc(Br)c(c2)[S](=O)(=O)NCc3ccccc3)cc1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)CNS(=O)(=O)c2cc(ccc2Br)C(=O)Nc3ccc(cc3)Br
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)CNS(=O)(=O)c2cc(ccc2Br)C(=O)Nc3ccc(cc3)Br

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PDB entries from 2024-07-10

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