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1A4

Summary
Name:N-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide
Formula:C13 H10 N2 O3 S3
Formal charge:0
Formula weight:338.425 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide
OpenEye OEToolkits1.7.6N-[3-(2-oxidanylidene-3H-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C3SC=C(c2cc(NS(=O)(=O)c1sccc1)ccc2)N3
InChIInChI1.03InChI=1S/C13H10N2O3S3/c16-13-14-11(8-20-13)9-3-1-4-10(7-9)15-21(17,18)12-5-2-6-19-12/h1-8,15H,(H,14,16)
InChIKeyInChI1.03PSOFLBHWUXTHTE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370O=C1NC(=CS1)c2cccc(N[S](=O)(=O)c3sccc3)c2
SMILESCACTVS3.370O=C1NC(=CS1)c2cccc(N[S](=O)(=O)c3sccc3)c2
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(cc(c1)NS(=O)(=O)c2cccs2)C3=CSC(=O)N3
SMILESOpenEye OEToolkits1.7.6c1cc(cc(c1)NS(=O)(=O)c2cccs2)C3=CSC(=O)N3

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PDB entries from 2024-09-11

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