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

Systemtic Name: (2-fluorophenyl)methyl 2-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: (2-fluorophenyl)methyl 2-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid (2-fluorophenyl)methyl ester IUPAC Name: (2-fluorophenyl)methyl 2-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-(2-tosyl-3,4-dihydro-1H-isoquinolin-1-yl)acetic acid (2-fluorobenzyl) ester Formula: C25H24FNO4S MolecularWeight: 453.525763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2CC(=O)OCC4=CC=CC=C4F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2CC(=O)OCC4=CC=CC=C4F

InChI

InChI=1S/C25H24FNO4S/c1-18-10-12-21(13-11-18)32(29,30)27-15-14-19-6-2-4-8-22(19)24(27)16-25(28)31-17-20-7-3-5-9-23(20)26/h2-13,24H,14-17H2,1H3