(5-chloranylquinolin-8-yl) 3,4-dimethoxybenzenesulfonate

Systemtic Name: (5-chloranylquinolin-8-yl) 3,4-dimethoxybenzenesulfonate Openeye Name: (5-chloro-8-quinolyl) 3,4-dimethoxybenzenesulfonate CAS Name: 3,4-dimethoxybenzenesulfonic acid (5-chloro-8-quinolinyl) ester IUPAC Name: (5-chloroquinolin-8-yl) 3,4-dimethoxybenzenesulfonate Traditional Name: 3,4-dimethoxybenzenesulfonic acid (5-chloro-8-quinolyl) ester Formula: C17H14ClNO5S MolecularWeight: 379.81476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)OC2=C3C(=C(C=C2)Cl)C=CC=N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)OC2=C3C(=C(C=C2)Cl)C=CC=N3)OC

InChI

InChI=1S/C17H14ClNO5S/c1-22-14-7-5-11(10-16(14)23-2)25(20,21)24-15-8-6-13(18)12-4-3-9-19-17(12)15/h3-10H,1-2H3