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

Systemtic Name: [(2R)-3-oxidanylidenebutan-2-yl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: [(1R)-1-methyl-2-oxo-propyl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [(2R)-3-oxobutan-2-yl] ester IUPAC Name: [(2R)-3-oxobutan-2-yl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [(1R)-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=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

C[C@H](C(=O)C)OC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H21NO5S/c1-14(22)15(2)26-20(23)17-7-9-19(10-8-17)27(24,25)21-12-11-16-5-3-4-6-18(16)13-21/h3-10,15H,11-13H2,1-2H3/t15-/m1/s1