95J

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Summary

Name:N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide
Formula:C11 H7 Br N4 O4 S3
Formal charge:0
Molecular weight:435.297 Da
Component type:NON-POLYMER

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(=O)(Nc1ncc(Br)s1)NS(c3ccc(c2ccon2)s3)(=O)=O
InChIInChI1.03InChI=1S/C11H7BrN4O4S3/c12-8-5-13-11(22-8)14-10(17)16-23(18,19)9-2-1-7(21-9)6-3-4-20-15-6/h1-5H,(H2,13,14,16,17)
InChIKeyInChI1.03QQPBXFNELFKWEI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Brc1sc(NC(=O)N[S](=O)(=O)c2sc(cc2)c3ccon3)nc1
SMILESCACTVS3.385Brc1sc(NC(=O)N[S](=O)(=O)c2sc(cc2)c3ccon3)nc1
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cc(sc1c2ccon2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br
SMILESOpenEye OEToolkits2.0.6c1cc(sc1c2ccon2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br
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