95S

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Summary

Name:N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
Formula:C12 H14 Br N3 O4 S3
Formal charge:0
Molecular weight:440.356 Da
Component type:NON-POLYMER

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(=O)(NS(c1cc(c(CCOC)s1)C)(=O)=O)Nc2sc(cn2)Br
InChIInChI1.03InChI=1S/C12H14BrN3O4S3/c1-7-5-10(21-8(7)3-4-20-2)23(18,19)16-11(17)15-12-14-6-9(13)22-12/h5-6H,3-4H2,1-2H3,(H2,14,15,16,17)
InChIKeyInChI1.03GYLXXAGXBDRUHI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COCCc1sc(cc1C)[S](=O)(=O)NC(=O)Nc2sc(Br)cn2
SMILESCACTVS3.385COCCc1sc(cc1C)[S](=O)(=O)NC(=O)Nc2sc(Br)cn2
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2ncc(s2)Br
SMILESOpenEye OEToolkits2.0.6Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2ncc(s2)Br
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