3-[[3-(2-thiophen-2-ylethynyl)phenyl]sulfamoyl]benzoic acid

Systemtic Name: 3-[[3-(2-thiophen-2-ylethynyl)phenyl]sulfamoyl]benzoic acid Openeye Name: 3-[[3-[2-(2-thienyl)ethynyl]phenyl]sulfamoyl]benzoic acid CAS Name: 3-[[3-(2-thiophen-2-ylethynyl)phenyl]sulfamoyl]benzoic acid IUPAC Name: 3-[[3-(2-thiophen-2-ylethynyl)phenyl]sulfamoyl]benzoic acid Traditional Name: 3-[[3-[2-(2-thienyl)ethynyl]phenyl]sulfamoyl]benzoic acid Formula: C19H13NO4S2 MolecularWeight: 383.44082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)O)C#CC3=CC=CS3

Isomeric SMILES

C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)O)C#CC3=CC=CS3

InChI

InChI=1S/C19H13NO4S2/c21-19(22)15-5-2-8-18(13-15)26(23,24)20-16-6-1-4-14(12-16)9-10-17-7-3-11-25-17/h1-8,11-13,20H,(H,21,22)