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94V

Summary
Name:N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-2-chlorobenzene-1-sulfonamide
Formula:C10 H7 Br Cl N3 O3 S2
Formal charge:0
Formula weight:396.668 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-2-chlorobenzene-1-sulfonamide
OpenEye OEToolkits2.0.61-(5-bromanyl-1,3-thiazol-2-yl)-3-(2-chlorophenyl)sulfonyl-urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1(sc(nc1)NC(=O)NS(c2ccccc2Cl)(=O)=O)Br
InChIInChI1.03InChI=1S/C10H7BrClN3O3S2/c11-8-5-13-10(19-8)14-9(16)15-20(17,18)7-4-2-1-3-6(7)12/h1-5H,(H2,13,14,15,16)
InChIKeyInChI1.03NFXDNHRCLVIUNW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Clc1ccccc1[S](=O)(=O)NC(=O)Nc2sc(Br)cn2
SMILESCACTVS3.385Clc1ccccc1[S](=O)(=O)NC(=O)Nc2sc(Br)cn2
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc(c(c1)S(=O)(=O)NC(=O)Nc2ncc(s2)Br)Cl
SMILESOpenEye OEToolkits2.0.6c1ccc(c(c1)S(=O)(=O)NC(=O)Nc2ncc(s2)Br)Cl

218853

PDB entries from 2024-04-24

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