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RO5

Summary
Name:N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3-ethylbenzenesulfonamide
Formula:C12 H12 Br N3 O3 S2
Formal charge:0
Formula weight:390.276 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3-ethylbenzenesulfonamide
OpenEye OEToolkits1.6.11-(5-bromo-1,3-thiazol-2-yl)-3-(3-ethylphenyl)sulfonyl-urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Brc1sc(nc1)NC(=O)NS(=O)(=O)c2cccc(c2)CC
SMILES_CANONICALCACTVS3.352CCc1cccc(c1)[S](=O)(=O)NC(=O)Nc2sc(Br)cn2
SMILESCACTVS3.352CCc1cccc(c1)[S](=O)(=O)NC(=O)Nc2sc(Br)cn2
SMILES_CANONICALOpenEye OEToolkits1.6.1CCc1cccc(c1)S(=O)(=O)NC(=O)Nc2ncc(s2)Br
SMILESOpenEye OEToolkits1.6.1CCc1cccc(c1)S(=O)(=O)NC(=O)Nc2ncc(s2)Br
InChIInChI1.03InChI=1S/C12H12BrN3O3S2/c1-2-8-4-3-5-9(6-8)21(18,19)16-11(17)15-12-14-7-10(13)20-12/h3-7H,2H2,1H3,(H2,14,15,16,17)
InChIKeyInChI1.03CDARLLLKPJHKBU-UHFFFAOYSA-N

220113

PDB entries from 2024-05-22

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