(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl) 2-bromanyl-4,5-dimethoxy-benzenesulfonate

Systemtic Name: (2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl) 2-bromanyl-4,5-dimethoxy-benzenesulfonate Openeye Name: (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-bromo-4,5-dimethoxy-benzenesulfonate CAS Name: 2-bromo-4,5-dimethoxybenzenesulfonic acid (2-oxo-3,4-dihydro-1H-quinolin-6-yl) ester IUPAC Name: (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-bromo-4,5-dimethoxybenzenesulfonate Traditional Name: 2-bromo-4,5-dimethoxy-benzenesulfonic acid (2-keto-3,4-dihydro-1H-quinolin-6-yl) ester Formula: C17H16BrNO6S MolecularWeight: 442.28104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1OC)Br)S(=O)(=O)OC2=CC3=C(C=C2)NC(=O)CC3

Isomeric SMILES

COC1=CC(=C(C=C1OC)Br)S(=O)(=O)OC2=CC3=C(C=C2)NC(=O)CC3

InChI

InChI=1S/C17H16BrNO6S/c1-23-14-8-12(18)16(9-15(14)24-2)26(21,22)25-11-4-5-13-10(7-11)3-6-17(20)19-13/h4-5,7-9H,3,6H2,1-2H3,(H,19,20)