(3,3-dimethyl-2-oxidanylidene-butyl) 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate CAS Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Traditional Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO5S/c1-22(2,3)20(24)15-28-21(25)17-9-6-11-18(14-17)29(26,27)23-13-7-10-16-8-4-5-12-19(16)23/h4-6,8-9,11-12,14H,7,10,13,15H2,1-3H3