96J

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Summary

Name:N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide
Formula:C12 H12 Br N3 O3 S2
Formal charge:0
Molecular weight:390.276 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide
OpenEye OEToolkits2.0.61-(4-bromanyl-3-methyl-1,2-thiazol-5-yl)-3-(3-methylphenyl)sulfonyl-urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(=O)(Nc1c(c(ns1)C)Br)NS(c2cc(C)ccc2)(=O)=O
InChIInChI1.03InChI=1S/C12H12BrN3O3S2/c1-7-4-3-5-9(6-7)21(18,19)16-12(17)14-11-10(13)8(2)15-20-11/h3-6H,1-2H3,(H2,14,16,17)
InChIKeyInChI1.03VHHHRTHSENFAMN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1cccc(c1)[S](=O)(=O)NC(=O)Nc2snc(C)c2Br
SMILESCACTVS3.385Cc1cccc(c1)[S](=O)(=O)NC(=O)Nc2snc(C)c2Br
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1cccc(c1)S(=O)(=O)NC(=O)Nc2c(c(ns2)C)Br
SMILESOpenEye OEToolkits2.0.6Cc1cccc(c1)S(=O)(=O)NC(=O)Nc2c(c(ns2)C)Br
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