(2-chloranyl-6-fluoranyl-phenyl)methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (2-chloro-6-fluoro-benzyl) ester Formula: C23H19ClFNO4S MolecularWeight: 459.917663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C23H19ClFNO4S/c24-21-9-4-10-22(25)20(21)15-30-23(27)17-7-3-8-19(13-17)31(28,29)26-12-11-16-5-1-2-6-18(16)14-26/h1-10,13H,11-12,14-15H2