(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl) 4-[(2S)-butan-2-yl]benzenesulfonate

Systemtic Name: (2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl) 4-[(2S)-butan-2-yl]benzenesulfonate Openeye Name: (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-[(1S)-1-methylpropyl]benzenesulfonate CAS Name: 4-[(2S)-butan-2-yl]benzenesulfonic acid (2-oxo-3,4-dihydro-1H-quinolin-6-yl) ester IUPAC Name: (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-[(2S)-butan-2-yl]benzenesulfonate Traditional Name: 4-[(1S)-1-methylpropyl]benzenesulfonic acid (2-keto-3,4-dihydro-1H-quinolin-6-yl) ester Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)NC(=O)CC3

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)NC(=O)CC3

InChI

InChI=1S/C19H21NO4S/c1-3-13(2)14-4-8-17(9-5-14)25(22,23)24-16-7-10-18-15(12-16)6-11-19(21)20-18/h4-5,7-10,12-13H,3,6,11H2,1-2H3,(H,20,21)/t13-/m0/s1