methyl 3-[2-[3-[3-(4-sulfamoylphenyl)propanoylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[3-(4-sulfamoylphenyl)propanoylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[3-(4-sulfamoylphenyl)propanoylamino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[1-oxo-3-(4-sulfamoylphenyl)propyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[3-(4-sulfamoylphenyl)propanoylamino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[3-(4-sulfamoylphenyl)propanoylamino]phenyl]ethynyl]benzoic acid methyl ester Formula: C25H22N2O5S MolecularWeight: 462.51758

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C25H22N2O5S/c1-32-25(29)21-6-2-4-19(16-21)8-9-20-5-3-7-22(17-20)27-24(28)15-12-18-10-13-23(14-11-18)33(26,30)31/h2-7,10-11,13-14,16-17H,12,15H2,1H3,(H,27,28)(H2,26,30,31)