(2-methylquinolin-8-yl) 2-methylbenzenesulfonate

Systemtic Name: (2-methylquinolin-8-yl) 2-methylbenzenesulfonate Openeye Name: (2-methyl-8-quinolyl) 2-methylbenzenesulfonate CAS Name: 2-methylbenzenesulfonic acid (2-methyl-8-quinolinyl) ester IUPAC Name: (2-methylquinolin-8-yl) 2-methylbenzenesulfonate Traditional Name: 2-methylbenzenesulfonic acid (2-methyl-8-quinolyl) ester Formula: C17H15NO3S MolecularWeight: 313.3709

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OS(=O)(=O)C3=CC=CC=C3C)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OS(=O)(=O)C3=CC=CC=C3C)C=C1

InChI

InChI=1S/C17H15NO3S/c1-12-6-3-4-9-16(12)22(19,20)21-15-8-5-7-14-11-10-13(2)18-17(14)15/h3-11H,1-2H3