dimethyl 5-[[3-(2-thiophen-2-ylethynyl)phenyl]sulfamoyl]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[3-(2-thiophen-2-ylethynyl)phenyl]sulfamoyl]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[3-[2-(2-thienyl)ethynyl]phenyl]sulfamoyl]benzene-1,3-dicarboxylate CAS Name: 5-[[3-(2-thiophen-2-ylethynyl)phenyl]sulfamoyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[3-(2-thiophen-2-ylethynyl)phenyl]sulfamoyl]benzene-1,3-dicarboxylate Traditional Name: 5-[[3-[2-(2-thienyl)ethynyl]phenyl]sulfamoyl]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H17NO6S2 MolecularWeight: 455.50348

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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)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H17NO6S2/c1-28-21(24)16-12-17(22(25)29-2)14-20(13-16)31(26,27)23-18-6-3-5-15(11-18)8-9-19-7-4-10-30-19/h3-7,10-14,23H,1-2H3