(3-fluorophenyl)methyl 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: (3-fluorophenyl)methyl 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: (3-fluorophenyl)methyl 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (3-fluorophenyl)methyl ester IUPAC Name: (3-fluorophenyl)methyl 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (3-fluorobenzyl) ester Formula: C23H20FNO4S MolecularWeight: 425.472603

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)OCC4=CC(=CC=C4)F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)OCC4=CC(=CC=C4)F

InChI

InChI=1S/C23H20FNO4S/c24-21-7-3-4-17(14-21)16-29-23(26)19-8-10-22(11-9-19)30(27,28)25-13-12-18-5-1-2-6-20(18)15-25/h1-11,14H,12-13,15-16H2