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

Systemtic Name: (4-bromophenyl)methyl 2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (4-bromophenyl)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-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)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-bromobenzyl) ester Formula: C23H19BrFNO4S MolecularWeight: 504.368663

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C23H19BrFNO4S/c24-19-11-9-16(10-12-19)15-30-23(27)21-13-17-5-1-2-6-18(17)14-26(21)31(28,29)22-8-4-3-7-20(22)25/h1-12,21H,13-15H2