(4-butoxyquinolin-8-yl) 4-methylbenzenesulfonate

Systemtic Name: (4-butoxyquinolin-8-yl) 4-methylbenzenesulfonate Openeye Name: (4-butoxy-8-quinolyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-butoxy-8-quinolinyl) ester IUPAC Name: (4-butoxyquinolin-8-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-butoxy-8-quinolyl) ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C2C=CC=C(C2=NC=C1)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCOC1=C2C=CC=C(C2=NC=C1)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H21NO4S/c1-3-4-14-24-18-12-13-21-20-17(18)6-5-7-19(20)25-26(22,23)16-10-8-15(2)9-11-16/h5-13H,3-4,14H2,1-2H3