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

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (2-chloro-6-fluoro-benzyl) ester Formula: C23H18Cl2FNO4S MolecularWeight: 494.362723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18Cl2FNO4S/c24-19-6-3-7-21(26)18(19)14-31-23(28)16-8-9-20(25)22(12-16)32(29,30)27-11-10-15-4-1-2-5-17(15)13-27/h1-9,12H,10-11,13-14H2