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A1BKY

Summary
Name:N-[3-bromo-5-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide
Formula:C18 H15 Br N2 O3 S2
Formal charge:0
Formula weight:451.357 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52N-[3-bromo-5-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide
OpenEye OEToolkits3.1.0.0~{N}-[3-bromanyl-5-(methylsulfonylamino)phenyl]-4-phenyl-thiophene-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52CS(=O)(=O)Nc1cc(cc(Br)c1)NC(=O)c1cc(cs1)c1ccccc1
InChIInChI1.06InChI=1S/C18H15BrN2O3S2/c1-26(23,24)21-16-9-14(19)8-15(10-16)20-18(22)17-7-13(11-25-17)12-5-3-2-4-6-12/h2-11,21H,1H3,(H,20,22)
InChIKeyInChI1.06DNWYPUHSLKVZGL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385C[S](=O)(=O)Nc1cc(Br)cc(NC(=O)c2scc(c2)c3ccccc3)c1
SMILESCACTVS3.385C[S](=O)(=O)Nc1cc(Br)cc(NC(=O)c2scc(c2)c3ccccc3)c1
SMILES_CANONICALOpenEye OEToolkits3.1.0.0CS(=O)(=O)Nc1cc(cc(c1)Br)NC(=O)c2cc(cs2)c3ccccc3
SMILESOpenEye OEToolkits3.1.0.0CS(=O)(=O)Nc1cc(cc(c1)Br)NC(=O)c2cc(cs2)c3ccccc3

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PDB entries from 2026-02-18

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