(2-fluorophenyl)methyl 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoate

Systemtic Name: (2-fluorophenyl)methyl 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoate Openeye Name: (2-fluorophenyl)methyl 2-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)acetic acid (2-fluorophenyl)methyl ester IUPAC Name: (2-fluorophenyl)methyl 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)acetate Traditional Name: 2-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid (2-fluorobenzyl) ester Formula: C22H20FNO4S2 MolecularWeight: 445.526903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CC(=O)OCC3=CC=CC=C3F)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CC(=O)OCC3=CC=CC=C3F)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H20FNO4S2/c23-19-9-4-2-7-17(19)15-28-21(25)14-20-18-8-3-1-6-16(18)11-12-24(20)30(26,27)22-10-5-13-29-22/h1-10,13,20H,11-12,14-15H2