(5-chloranylquinolin-8-yl) 2-methoxy-4-methyl-benzenesulfonate

Systemtic Name: (5-chloranylquinolin-8-yl) 2-methoxy-4-methyl-benzenesulfonate Openeye Name: (5-chloro-8-quinolyl) 2-methoxy-4-methyl-benzenesulfonate CAS Name: 2-methoxy-4-methylbenzenesulfonic acid (5-chloro-8-quinolinyl) ester IUPAC Name: (5-chloroquinolin-8-yl) 2-methoxy-4-methylbenzenesulfonate Traditional Name: 2-methoxy-4-methyl-benzenesulfonic acid (5-chloro-8-quinolyl) ester Formula: C17H14ClNO4S MolecularWeight: 363.81536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)OC2=C3C(=C(C=C2)Cl)C=CC=N3)OC

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)OC2=C3C(=C(C=C2)Cl)C=CC=N3)OC

InChI

InChI=1S/C17H14ClNO4S/c1-11-5-8-16(15(10-11)22-2)24(20,21)23-14-7-6-13(18)12-4-3-9-19-17(12)14/h3-10H,1-2H3