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

Systemtic Name: methyl 4-[[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]methyl]benzoate CAS Name: 4-[[[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]methyl]benzoate Traditional Name: 4-[[(1-mesyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]methyl]benzoic acid methyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C

InChI

InChI=1S/C20H22N2O5S/c1-27-20(24)15-7-5-14(6-8-15)13-21-19(23)17-9-10-18-16(12-17)4-3-11-22(18)28(2,25)26/h5-10,12H,3-4,11,13H2,1-2H3,(H,21,23)