dimethyl 5-[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(1-mesyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H22N2O7S MolecularWeight: 446.47358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O7S/c1-29-20(25)15-10-16(21(26)30-2)12-17(11-15)22-19(24)14-6-7-18-13(9-14)5-4-8-23(18)31(3,27)28/h6-7,9-12H,4-5,8H2,1-3H3,(H,22,24)