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

Systemtic Name: 2-methoxy-5-[[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbonylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]methyl]benzoic acid Traditional Name: 5-[[(1-mesyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]methyl]-2-methoxy-benzoic acid Formula: C20H22N2O6S MolecularWeight: 418.46348

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6S/c1-28-18-8-5-13(10-16(18)20(24)25)12-21-19(23)15-6-7-17-14(11-15)4-3-9-22(17)29(2,26)27/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,21,23)(H,24,25)