(3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C23H26FNO5S MolecularWeight: 447.519643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)CC1C2=CC=CC=C2CCN1S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)CC1C2=CC=CC=C2CCN1S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H26FNO5S/c1-23(2,3)21(26)15-30-22(27)14-20-19-7-5-4-6-16(19)12-13-25(20)31(28,29)18-10-8-17(24)9-11-18/h4-11,20H,12-15H2,1-3H3