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

Systemtic Name: (3-phenoxyphenyl)methyl 2-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: (3-phenoxyphenyl)methyl 2-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid (3-phenoxyphenyl)methyl ester IUPAC Name: (3-phenoxyphenyl)methyl 2-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid (3-phenoxybenzyl) ester Formula: C30H26FNO5S MolecularWeight: 531.594543

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CC(=O)OCC3=CC(=CC=C3)OC4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CC(=O)OCC3=CC(=CC=C3)OC4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C30H26FNO5S/c31-24-13-15-27(16-14-24)38(34,35)32-18-17-23-8-4-5-12-28(23)29(32)20-30(33)36-21-22-7-6-11-26(19-22)37-25-9-2-1-3-10-25/h1-16,19,29H,17-18,20-21H2