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A1ELH

Summary
Name:3-bromanyl-N-[5-[[3-(dimethylamino)phenyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
Formula:C17 H16 Br N5 O3 S2
Formal charge:0
Formula weight:482.375 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.73-bromanyl-~{N}-[5-[[3-(dimethylamino)phenyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C17H16BrN5O3S2/c1-23(2)14-8-4-7-13(10-14)22-28(25,26)17-21-20-16(27-17)19-15(24)11-5-3-6-12(18)9-11/h3-10,22H,1-2H3,(H,19,20,24)
InChIKeyInChI1.06VAOGVNRLMMLBMF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)c1cccc(N[S](=O)(=O)c2sc(NC(=O)c3cccc(Br)c3)nn2)c1
SMILESCACTVS3.385CN(C)c1cccc(N[S](=O)(=O)c2sc(NC(=O)c3cccc(Br)c3)nn2)c1
SMILES_CANONICALOpenEye OEToolkits2.0.7CN(C)c1cccc(c1)NS(=O)(=O)c2nnc(s2)NC(=O)c3cccc(c3)Br
SMILESOpenEye OEToolkits2.0.7CN(C)c1cccc(c1)NS(=O)(=O)c2nnc(s2)NC(=O)c3cccc(c3)Br

250359

PDB entries from 2026-03-11

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