(3-ethyl-1-methyl-2-oxidanylidene-quinolin-4-yl) 4-bromanylbenzenesulfonate

Systemtic Name: (3-ethyl-1-methyl-2-oxidanylidene-quinolin-4-yl) 4-bromanylbenzenesulfonate Openeye Name: (3-ethyl-1-methyl-2-oxo-4-quinolyl) 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid (3-ethyl-1-methyl-2-oxo-4-quinolinyl) ester IUPAC Name: (3-ethyl-1-methyl-2-oxoquinolin-4-yl) 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid (3-ethyl-2-keto-1-methyl-4-quinolyl) ester Formula: C18H16BrNO4S MolecularWeight: 422.29294

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2N(C1=O)C)OS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCC1=C(C2=CC=CC=C2N(C1=O)C)OS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H16BrNO4S/c1-3-14-17(15-6-4-5-7-16(15)20(2)18(14)21)24-25(22,23)13-10-8-12(19)9-11-13/h4-11H,3H2,1-2H3