methyl 3-[2-[3-[(1-methylsulfonylpyrrolidin-2-yl)carbonylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[(1-methylsulfonylpyrrolidin-2-yl)carbonylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[(1-methylsulfonyl-2-pyrrolidinyl)-oxomethyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[(1-mesylprolyl)amino]phenyl]ethynyl]benzoic acid methyl ester Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3CCCN3S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3CCCN3S(=O)(=O)C

InChI

InChI=1S/C22H22N2O5S/c1-29-22(26)18-8-3-6-16(14-18)11-12-17-7-4-9-19(15-17)23-21(25)20-10-5-13-24(20)30(2,27)28/h3-4,6-9,14-15,20H,5,10,13H2,1-2H3,(H,23,25)