(5-cyano-2-fluoranyl-phenyl)methyl 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: (5-cyano-2-fluoro-phenyl)methyl 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (5-cyano-2-fluorophenyl)methyl ester IUPAC Name: (5-cyano-2-fluorophenyl)methyl 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (5-cyano-2-fluoro-benzyl) ester Formula: C24H19FN2O4S MolecularWeight: 450.482063

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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=C(C=CC(=C4)C#N)F

Isomeric SMILES

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

InChI

InChI=1S/C24H19FN2O4S/c25-23-10-5-17(14-26)13-21(23)16-31-24(28)19-6-8-22(9-7-19)32(29,30)27-12-11-18-3-1-2-4-20(18)15-27/h1-10,13H,11-12,15-16H2