94G

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Summary

Name:N-[(4-bromopyridin-2-yl)carbamoyl]-4-chlorobenzene-1-sulfonamide
Formula:C12 H9 Br Cl N3 O3 S
Formal charge:0
Molecular weight:390.64 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[(4-bromopyridin-2-yl)carbamoyl]-4-chlorobenzene-1-sulfonamide
OpenEye OEToolkits2.0.61-(4-bromanylpyridin-2-yl)-3-(4-chlorophenyl)sulfonyl-urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1(nccc(c1)Br)NC(=O)NS(c2ccc(Cl)cc2)(=O)=O
InChIInChI1.03InChI=1S/C12H9BrClN3O3S/c13-8-5-6-15-11(7-8)16-12(18)17-21(19,20)10-3-1-9(14)2-4-10/h1-7H,(H2,15,16,17,18)
InChIKeyInChI1.03VEYYOVPJKLKZDM-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Clc1ccc(cc1)[S](=O)(=O)NC(=O)Nc2cc(Br)ccn2
SMILESCACTVS3.385Clc1ccc(cc1)[S](=O)(=O)NC(=O)Nc2cc(Br)ccn2
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cc(ccc1S(=O)(=O)NC(=O)Nc2cc(ccn2)Br)Cl
SMILESOpenEye OEToolkits2.0.6c1cc(ccc1S(=O)(=O)NC(=O)Nc2cc(ccn2)Br)Cl
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