(1-methyl-2-oxidanylidene-3-propanoyl-quinolin-4-yl) 4-methylbenzenesulfonate

Systemtic Name: (1-methyl-2-oxidanylidene-3-propanoyl-quinolin-4-yl) 4-methylbenzenesulfonate Openeye Name: (1-methyl-2-oxo-3-propanoyl-4-quinolyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-methyl-2-oxo-3-(1-oxopropyl)-4-quinolinyl] ester IUPAC Name: (1-methyl-2-oxo-3-propanoylquinolin-4-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-keto-1-methyl-3-propionyl-4-quinolyl) ester Formula: C20H19NO5S MolecularWeight: 385.43356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C2=CC=CC=C2N(C1=O)C)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC(=O)C1=C(C2=CC=CC=C2N(C1=O)C)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H19NO5S/c1-4-17(22)18-19(15-7-5-6-8-16(15)21(3)20(18)23)26-27(24,25)14-11-9-13(2)10-12-14/h5-12H,4H2,1-3H3