[5-methoxy-2-(phenylcarbonyl)phenyl] 6-chloranyl-2-oxidanylidene-3,4-dihydro-1H-quinoline-7-sulfonate

Systemtic Name: [5-methoxy-2-(phenylcarbonyl)phenyl] 6-chloranyl-2-oxidanylidene-3,4-dihydro-1H-quinoline-7-sulfonate Openeye Name: (2-benzoyl-5-methoxy-phenyl) 6-chloro-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonate CAS Name: 6-chloro-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonic acid (2-benzoyl-5-methoxyphenyl) ester IUPAC Name: (2-benzoyl-5-methoxyphenyl) 6-chloro-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonate Traditional Name: 6-chloro-2-keto-3,4-dihydro-1H-quinoline-7-sulfonic acid (2-benzoyl-5-methoxy-phenyl) ester Formula: C23H18ClNO6S MolecularWeight: 471.91012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)OS(=O)(=O)C3=C(C=C4CCC(=O)NC4=C3)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)OS(=O)(=O)C3=C(C=C4CCC(=O)NC4=C3)Cl

InChI

InChI=1S/C23H18ClNO6S/c1-30-16-8-9-17(23(27)14-5-3-2-4-6-14)20(12-16)31-32(28,29)21-13-19-15(11-18(21)24)7-10-22(26)25-19/h2-6,8-9,11-13H,7,10H2,1H3,(H,25,26)