(4-chloranyl-2-propanoyl-phenyl) 2-oxidanylidene-3,4-dihydro-1H-quinoline-6-sulfonate

Systemtic Name: (4-chloranyl-2-propanoyl-phenyl) 2-oxidanylidene-3,4-dihydro-1H-quinoline-6-sulfonate Openeye Name: (4-chloro-2-propanoyl-phenyl) 2-oxo-3,4-dihydro-1H-quinoline-6-sulfonate CAS Name: 2-oxo-3,4-dihydro-1H-quinoline-6-sulfonic acid [4-chloro-2-(1-oxopropyl)phenyl] ester IUPAC Name: (4-chloro-2-propanoylphenyl) 2-oxo-3,4-dihydro-1H-quinoline-6-sulfonate Traditional Name: 2-keto-3,4-dihydro-1H-quinoline-6-sulfonic acid (4-chloro-2-propionyl-phenyl) ester Formula: C18H16ClNO5S MolecularWeight: 393.84134

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C=CC(=C1)Cl)OS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3

Isomeric SMILES

CCC(=O)C1=C(C=CC(=C1)Cl)OS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3

InChI

InChI=1S/C18H16ClNO5S/c1-2-16(21)14-10-12(19)4-7-17(14)25-26(23,24)13-5-6-15-11(9-13)3-8-18(22)20-15/h4-7,9-10H,2-3,8H2,1H3,(H,20,22)