(4-fluorophenyl)methyl 4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: (4-fluorophenyl)methyl 4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: (4-fluorophenyl)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 (4-fluorophenyl)methyl ester IUPAC Name: (4-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 (4-fluorobenzyl) 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=C(C=CC(=C3)C(=O)OCC4=CC=C(C=C4)F)Cl

Isomeric SMILES

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

InChI

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