methyl 2-methoxy-5-[[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbonylamino]methyl]benzoate

Systemtic Name: methyl 2-methoxy-5-[[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbonylamino]methyl]benzoate Openeye Name: methyl 2-methoxy-5-[[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]methyl]benzoate CAS Name: 2-methoxy-5-[[[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-5-[[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]methyl]benzoate Traditional Name: 5-[[(1-mesyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]methyl]-2-methoxy-benzoic acid methyl ester Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C21H24N2O6S/c1-28-19-9-6-14(11-17(19)21(25)29-2)13-22-20(24)16-7-8-18-15(12-16)5-4-10-23(18)30(3,26)27/h6-9,11-12H,4-5,10,13H2,1-3H3,(H,22,24)