(4-cyanophenyl)methyl 2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (4-cyanophenyl)methyl 2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (4-cyanophenyl)methyl 2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (4-cyanobenzyl) ester Formula: C24H19FN2O4S MolecularWeight: 450.482063

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3F)C(=O)OCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3F)C(=O)OCC4=CC=C(C=C4)C#N

InChI

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