2-[(1R)-2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: 2-[(1R)-2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: 2-[(1R)-2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[(1R)-2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate IUPAC Name: 2-[(1R)-2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[(1R)-2-besyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate Formula: C17H16NO4S- MolecularWeight: 330.37824

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CC(=O)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN([C@@H](C2=CC=CC=C21)CC(=O)[O-])S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H17NO4S/c19-17(20)12-16-15-9-5-4-6-13(15)10-11-18(16)23(21,22)14-7-2-1-3-8-14/h1-9,16H,10-12H2,(H,19,20)/p-1/t16-/m1/s1