(2-propanoylphenyl) 2-oxidanylidene-3,4-dihydro-1H-quinoline-6-sulfonate

Systemtic Name: (2-propanoylphenyl) 2-oxidanylidene-3,4-dihydro-1H-quinoline-6-sulfonate Openeye Name: (2-propanoylphenyl) 2-oxo-3,4-dihydro-1H-quinoline-6-sulfonate CAS Name: 2-oxo-3,4-dihydro-1H-quinoline-6-sulfonic acid [2-(1-oxopropyl)phenyl] ester IUPAC Name: (2-propanoylphenyl) 2-oxo-3,4-dihydro-1H-quinoline-6-sulfonate Traditional Name: 2-keto-3,4-dihydro-1H-quinoline-6-sulfonic acid (2-propionylphenyl) ester Formula: C18H17NO5S MolecularWeight: 359.39628

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=CC=C1OS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3

Isomeric SMILES

CCC(=O)C1=CC=CC=C1OS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3

InChI

InChI=1S/C18H17NO5S/c1-2-16(20)14-5-3-4-6-17(14)24-25(22,23)13-8-9-15-12(11-13)7-10-18(21)19-15/h3-6,8-9,11H,2,7,10H2,1H3,(H,19,21)