(2-methylquinolin-8-yl) 4-fluoranyl-2-methyl-benzenesulfonate

Systemtic Name: (2-methylquinolin-8-yl) 4-fluoranyl-2-methyl-benzenesulfonate Openeye Name: (2-methyl-8-quinolyl) 4-fluoro-2-methyl-benzenesulfonate CAS Name: 4-fluoro-2-methylbenzenesulfonic acid (2-methyl-8-quinolinyl) ester IUPAC Name: (2-methylquinolin-8-yl) 4-fluoro-2-methylbenzenesulfonate Traditional Name: 4-fluoro-2-methyl-benzenesulfonic acid (2-methyl-8-quinolyl) ester Formula: C17H14FNO3S MolecularWeight: 331.361363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14FNO3S/c1-11-10-14(18)8-9-16(11)23(20,21)22-15-5-3-4-13-7-6-12(2)19-17(13)15/h3-10H,1-2H3