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

Systemtic Name: (5-chloranylquinolin-8-yl) 4-bromanyl-3-ethoxy-benzenesulfonate Openeye Name: (5-chloro-8-quinolyl) 4-bromo-3-ethoxy-benzenesulfonate CAS Name: 4-bromo-3-ethoxybenzenesulfonic acid (5-chloro-8-quinolinyl) ester IUPAC Name: (5-chloroquinolin-8-yl) 4-bromo-3-ethoxybenzenesulfonate Traditional Name: 4-bromo-3-ethoxy-benzenesulfonic acid (5-chloro-8-quinolyl) ester Formula: C17H13BrClNO4S MolecularWeight: 442.71142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrClNO4S/c1-2-23-16-10-11(5-6-13(16)18)25(21,22)24-15-8-7-14(19)12-4-3-9-20-17(12)15/h3-10H,2H2,1H3