3-[4-[[3-(2-thiophen-2-ylethynyl)phenyl]sulfamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[[3-(2-thiophen-2-ylethynyl)phenyl]sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[[3-[2-(2-thienyl)ethynyl]phenyl]sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[[3-(2-thiophen-2-ylethynyl)phenyl]sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[[3-(2-thiophen-2-ylethynyl)phenyl]sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[[3-[2-(2-thienyl)ethynyl]phenyl]sulfamoyl]phenyl]propionic acid Formula: C21H17NO4S2 MolecularWeight: 411.49398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17NO4S2/c23-21(24)13-9-16-7-11-20(12-8-16)28(25,26)22-18-4-1-3-17(15-18)6-10-19-5-2-14-27-19/h1-5,7-8,11-12,14-15,22H,9,13H2,(H,23,24)