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

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 2-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: (2-amino-2-oxo-ethyl) 2-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 2-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-(2-besyl-3,4-dihydro-1H-isoquinolin-1-yl)acetic acid (2-amino-2-keto-ethyl) ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CC(=O)OCC(=O)N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CC(=O)OCC(=O)N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H20N2O5S/c20-18(22)13-26-19(23)12-17-16-9-5-4-6-14(16)10-11-21(17)27(24,25)15-7-2-1-3-8-15/h1-9,17H,10-13H2,(H2,20,22)