(2-methylquinolin-8-yl) 3-ethoxy-4-fluoranyl-benzenesulfonate

Systemtic Name: (2-methylquinolin-8-yl) 3-ethoxy-4-fluoranyl-benzenesulfonate Openeye Name: (2-methyl-8-quinolyl) 3-ethoxy-4-fluoro-benzenesulfonate CAS Name: 3-ethoxy-4-fluorobenzenesulfonic acid (2-methyl-8-quinolinyl) ester IUPAC Name: (2-methylquinolin-8-yl) 3-ethoxy-4-fluorobenzenesulfonate Traditional Name: 3-ethoxy-4-fluoro-benzenesulfonic acid (2-methyl-8-quinolyl) ester Formula: C18H16FNO4S MolecularWeight: 361.387343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC3=C2N=C(C=C3)C)F

Isomeric SMILES

CCOC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC3=C2N=C(C=C3)C)F

InChI

InChI=1S/C18H16FNO4S/c1-3-23-17-11-14(9-10-15(17)19)25(21,22)24-16-6-4-5-13-8-7-12(2)20-18(13)16/h4-11H,3H2,1-2H3