3-[[3-[2-(3-methoxycarbonylphenyl)ethynyl]phenyl]sulfamoyl]benzoic acid

Systemtic Name: 3-[[3-[2-(3-methoxycarbonylphenyl)ethynyl]phenyl]sulfamoyl]benzoic acid Openeye Name: 3-[[3-[2-(3-methoxycarbonylphenyl)ethynyl]phenyl]sulfamoyl]benzoic acid CAS Name: 3-[[3-[2-(3-methoxycarbonylphenyl)ethynyl]phenyl]sulfamoyl]benzoic acid IUPAC Name: 3-[[3-[2-(3-methoxycarbonylphenyl)ethynyl]phenyl]sulfamoyl]benzoic acid Traditional Name: 3-[[3-[2-(3-carbomethoxyphenyl)ethynyl]phenyl]sulfamoyl]benzoic acid Formula: C23H17NO6S MolecularWeight: 435.44918

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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)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H17NO6S/c1-30-23(27)19-8-2-5-16(13-19)11-12-17-6-3-9-20(14-17)24-31(28,29)21-10-4-7-18(15-21)22(25)26/h2-10,13-15,24H,1H3,(H,25,26)