(4-bromanyl-2-propanoyl-phenyl) 3-methylquinoline-8-sulfonate

Systemtic Name: (4-bromanyl-2-propanoyl-phenyl) 3-methylquinoline-8-sulfonate Openeye Name: (4-bromo-2-propanoyl-phenyl) 3-methylquinoline-8-sulfonate CAS Name: 3-methyl-8-quinolinesulfonic acid [4-bromo-2-(1-oxopropyl)phenyl] ester IUPAC Name: (4-bromo-2-propanoylphenyl) 3-methylquinoline-8-sulfonate Traditional Name: 3-methylquinoline-8-sulfonic acid (4-bromo-2-propionyl-phenyl) ester Formula: C19H16BrNO4S MolecularWeight: 434.30364

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C=CC(=C1)Br)OS(=O)(=O)C2=CC=CC3=CC(=CN=C32)C

Isomeric SMILES

CCC(=O)C1=C(C=CC(=C1)Br)OS(=O)(=O)C2=CC=CC3=CC(=CN=C32)C

InChI

InChI=1S/C19H16BrNO4S/c1-3-16(22)15-10-14(20)7-8-17(15)25-26(23,24)18-6-4-5-13-9-12(2)11-21-19(13)18/h4-11H,3H2,1-2H3