(5-chloranylquinolin-8-yl) 5-bromanyl-2-ethoxy-benzenesulfonate

Systemtic Name: (5-chloranylquinolin-8-yl) 5-bromanyl-2-ethoxy-benzenesulfonate Openeye Name: (5-chloro-8-quinolyl) 5-bromo-2-ethoxy-benzenesulfonate CAS Name: 5-bromo-2-ethoxybenzenesulfonic acid (5-chloro-8-quinolinyl) ester IUPAC Name: (5-chloroquinolin-8-yl) 5-bromo-2-ethoxybenzenesulfonate Traditional Name: 5-bromo-2-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=C(C=C1)Br)S(=O)(=O)OC2=C3C(=C(C=C2)Cl)C=CC=N3

Isomeric SMILES

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

InChI

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