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

Systemtic Name: (5-chloranylquinolin-8-yl) 4-ethoxy-3-methyl-benzenesulfonate Openeye Name: (5-chloro-8-quinolyl) 4-ethoxy-3-methyl-benzenesulfonate CAS Name: 4-ethoxy-3-methylbenzenesulfonic acid (5-chloro-8-quinolinyl) ester IUPAC Name: (5-chloroquinolin-8-yl) 4-ethoxy-3-methylbenzenesulfonate Traditional Name: 4-ethoxy-3-methyl-benzenesulfonic acid (5-chloro-8-quinolyl) ester Formula: C18H16ClNO4S MolecularWeight: 377.84194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClNO4S/c1-3-23-16-8-6-13(11-12(16)2)25(21,22)24-17-9-7-15(19)14-5-4-10-20-18(14)17/h4-11H,3H2,1-2H3