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

Systemtic Name: 4-methoxy-3-[[3-(2-thiophen-2-ylethynyl)phenyl]sulfamoyl]benzoic acid Openeye Name: 4-methoxy-3-[[3-[2-(2-thienyl)ethynyl]phenyl]sulfamoyl]benzoic acid CAS Name: 4-methoxy-3-[[3-(2-thiophen-2-ylethynyl)phenyl]sulfamoyl]benzoic acid IUPAC Name: 4-methoxy-3-[[3-(2-thiophen-2-ylethynyl)phenyl]sulfamoyl]benzoic acid Traditional Name: 4-methoxy-3-[[3-[2-(2-thienyl)ethynyl]phenyl]sulfamoyl]benzoic acid Formula: C20H15NO5S2 MolecularWeight: 413.4668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=CC=CC(=C2)C#CC3=CC=CS3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=CC=CC(=C2)C#CC3=CC=CS3

InChI

InChI=1S/C20H15NO5S2/c1-26-18-10-8-15(20(22)23)13-19(18)28(24,25)21-16-5-2-4-14(12-16)7-9-17-6-3-11-27-17/h2-6,8,10-13,21H,1H3,(H,22,23)