methyl 3-[2-[3-[(3-sulfamoylphenyl)sulfonylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[(3-sulfamoylphenyl)sulfonylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[(3-sulfamoylphenyl)sulfonylamino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[(3-sulfamoylphenyl)sulfonylamino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[(3-sulfamoylphenyl)sulfonylamino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[(3-sulfamoylphenyl)sulfonylamino]phenyl]ethynyl]benzoic acid methyl ester Formula: C22H18N2O6S2 MolecularWeight: 470.51812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O6S2/c1-30-22(25)18-7-2-5-16(13-18)11-12-17-6-3-8-19(14-17)24-32(28,29)21-10-4-9-20(15-21)31(23,26)27/h2-10,13-15,24H,1H3,(H2,23,26,27)