methyl 3-[[3-(2-thiophen-2-ylethynyl)phenyl]sulfamoyl]benzoate

Systemtic Name: methyl 3-[[3-(2-thiophen-2-ylethynyl)phenyl]sulfamoyl]benzoate Openeye Name: methyl 3-[[3-[2-(2-thienyl)ethynyl]phenyl]sulfamoyl]benzoate CAS Name: 3-[[3-(2-thiophen-2-ylethynyl)phenyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-(2-thiophen-2-ylethynyl)phenyl]sulfamoyl]benzoate Traditional Name: 3-[[3-[2-(2-thienyl)ethynyl]phenyl]sulfamoyl]benzoic acid methyl ester Formula: C20H15NO4S2 MolecularWeight: 397.4674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15NO4S2/c1-25-20(22)16-6-3-9-19(14-16)27(23,24)21-17-7-2-5-15(13-17)10-11-18-8-4-12-26-18/h2-9,12-14,21H,1H3