methyl 2-[[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]ethanoate Openeye Name: methyl 2-[[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]acetate CAS Name: 2-[[[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]acetate Traditional Name: 2-[[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]acetic acid methyl ester Formula: C19H19FN2O5S MolecularWeight: 406.427963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)CNC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H19FN2O5S/c1-27-18(23)11-21-19(24)17-10-13-4-2-3-5-14(13)12-22(17)28(25,26)16-8-6-15(20)7-9-16/h2-9,17H,10-12H2,1H3,(H,21,24)