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

Systemtic Name: 4-methyl-3-[[3-(2-thiophen-2-ylethynyl)phenyl]sulfamoyl]benzoate Openeye Name: 4-methyl-3-[[3-[2-(2-thienyl)ethynyl]phenyl]sulfamoyl]benzoate CAS Name: 4-methyl-3-[[3-(2-thiophen-2-ylethynyl)phenyl]sulfamoyl]benzoate IUPAC Name: 4-methyl-3-[[3-(2-thiophen-2-ylethynyl)phenyl]sulfamoyl]benzoate Traditional Name: 4-methyl-3-[[3-[2-(2-thienyl)ethynyl]phenyl]sulfamoyl]benzoate Formula: C20H14NO4S2- MolecularWeight: 396.45946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])S(=O)(=O)NC2=CC=CC(=C2)C#CC3=CC=CS3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])S(=O)(=O)NC2=CC=CC(=C2)C#CC3=CC=CS3

InChI

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