methyl 3-[2-[3-[(3-methylsulfonylphenyl)carbonylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[(3-methylsulfonylphenyl)carbonylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[(3-methylsulfonylbenzoyl)amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[(3-methylsulfonylphenyl)-oxomethyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[(3-methylsulfonylbenzoyl)amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[(3-mesylbenzoyl)amino]phenyl]ethynyl]benzoic acid methyl ester Formula: C24H19NO5S MolecularWeight: 433.47636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H19NO5S/c1-30-24(27)20-9-3-6-17(14-20)12-13-18-7-4-10-21(15-18)25-23(26)19-8-5-11-22(16-19)31(2,28)29/h3-11,14-16H,1-2H3,(H,25,26)