methyl 3-[2-[3-[(2-methoxy-5-sulfamoyl-phenyl)carbonylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[(2-methoxy-5-sulfamoyl-phenyl)carbonylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[(2-methoxy-5-sulfamoyl-benzoyl)amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[(2-methoxy-5-sulfamoylphenyl)-oxomethyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[(2-methoxy-5-sulfamoylbenzoyl)amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[(2-methoxy-5-sulfamoyl-benzoyl)amino]phenyl]ethynyl]benzoic acid methyl ester Formula: C24H20N2O6S MolecularWeight: 464.4904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NC2=CC=CC(=C2)C#CC3=CC(=CC=C3)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NC2=CC=CC(=C2)C#CC3=CC(=CC=C3)C(=O)OC

InChI

InChI=1S/C24H20N2O6S/c1-31-22-12-11-20(33(25,29)30)15-21(22)23(27)26-19-8-4-6-17(14-19)10-9-16-5-3-7-18(13-16)24(28)32-2/h3-8,11-15H,1-2H3,(H,26,27)(H2,25,29,30)