3-oxidanylidenebutan-2-yl 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate

Systemtic Name: 3-oxidanylidenebutan-2-yl 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Openeye Name: (1-methyl-2-oxo-propyl) 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate CAS Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Traditional Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid (2-keto-1-methyl-propyl) ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC3=CC=CC=C32

Isomeric SMILES

CC(C(=O)C)OC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC3=CC=CC=C32

InChI

InChI=1S/C20H21NO5S/c1-14(22)15(2)26-20(23)17-8-5-10-18(13-17)27(24,25)21-12-6-9-16-7-3-4-11-19(16)21/h3-5,7-8,10-11,13,15H,6,9,12H2,1-2H3