(2-methylquinolin-4-yl) 4-methoxy-2,5-dimethyl-benzenesulfonate

Systemtic Name: (2-methylquinolin-4-yl) 4-methoxy-2,5-dimethyl-benzenesulfonate Openeye Name: (2-methyl-4-quinolyl) 4-methoxy-2,5-dimethyl-benzenesulfonate CAS Name: 4-methoxy-2,5-dimethylbenzenesulfonic acid (2-methyl-4-quinolinyl) ester IUPAC Name: (2-methylquinolin-4-yl) 4-methoxy-2,5-dimethylbenzenesulfonate Traditional Name: 4-methoxy-2,5-dimethyl-benzenesulfonic acid (2-methyl-4-quinolyl) ester Formula: C19H19NO4S MolecularWeight: 357.42346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)OC2=CC(=NC3=CC=CC=C32)C)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)OC2=CC(=NC3=CC=CC=C32)C)C)OC

InChI

InChI=1S/C19H19NO4S/c1-12-10-19(13(2)9-17(12)23-4)25(21,22)24-18-11-14(3)20-16-8-6-5-7-15(16)18/h5-11H,1-4H3