(5-chloranylquinolin-8-yl) 3-ethoxy-4-fluoranyl-benzenesulfonate

Systemtic Name: (5-chloranylquinolin-8-yl) 3-ethoxy-4-fluoranyl-benzenesulfonate Openeye Name: (5-chloro-8-quinolyl) 3-ethoxy-4-fluoro-benzenesulfonate CAS Name: 3-ethoxy-4-fluorobenzenesulfonic acid (5-chloro-8-quinolinyl) ester IUPAC Name: (5-chloroquinolin-8-yl) 3-ethoxy-4-fluorobenzenesulfonate Traditional Name: 3-ethoxy-4-fluoro-benzenesulfonic acid (5-chloro-8-quinolyl) ester Formula: C17H13ClFNO4S MolecularWeight: 381.805823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)S(=O)(=O)OC2=C3C(=C(C=C2)Cl)C=CC=N3)F

Isomeric SMILES

CCOC1=C(C=CC(=C1)S(=O)(=O)OC2=C3C(=C(C=C2)Cl)C=CC=N3)F

InChI

InChI=1S/C17H13ClFNO4S/c1-2-23-16-10-11(5-7-14(16)19)25(21,22)24-15-8-6-13(18)12-4-3-9-20-17(12)15/h3-10H,2H2,1H3