methyl 3-[2-[3-[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbonylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbonylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-oxomethyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[(1-mesyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]phenyl]ethynyl]benzoic acid methyl ester Formula: C27H24N2O5S MolecularWeight: 488.55486

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3=CC4=C(C=C3)N(CCC4)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3=CC4=C(C=C3)N(CCC4)S(=O)(=O)C

InChI

InChI=1S/C27H24N2O5S/c1-34-27(31)23-8-3-6-19(16-23)11-12-20-7-4-10-24(17-20)28-26(30)22-13-14-25-21(18-22)9-5-15-29(25)35(2,32)33/h3-4,6-8,10,13-14,16-18H,5,9,15H2,1-2H3,(H,28,30)