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

Systemtic Name: 3-oxidanylidenebutan-2-yl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: (1-methyl-2-oxo-propyl) 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-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)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C(=O)C)OC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2

InChI

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