methyl 3-[2-[3-[(5-sulfamoylthiophen-3-yl)carbonylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[(5-sulfamoylthiophen-3-yl)carbonylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[(5-sulfamoylthiophene-3-carbonyl)amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[oxo-(5-sulfamoyl-3-thiophenyl)methyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[(5-sulfamoylthiophene-3-carbonyl)amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[(5-sulfamoylthiophene-3-carbonyl)amino]phenyl]ethynyl]benzoic acid methyl ester Formula: C21H16N2O5S2 MolecularWeight: 440.49214

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3=CSC(=C3)S(=O)(=O)N

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3=CSC(=C3)S(=O)(=O)N

InChI

InChI=1S/C21H16N2O5S2/c1-28-21(25)16-6-2-4-14(10-16)8-9-15-5-3-7-18(11-15)23-20(24)17-12-19(29-13-17)30(22,26)27/h2-7,10-13H,1H3,(H,23,24)(H2,22,26,27)