(3-fluorophenyl) 2-chloranyl-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: (3-fluorophenyl) 2-chloranyl-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: (3-fluorophenyl) 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (3-fluorophenyl) ester IUPAC Name: (3-fluorophenyl) 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (3-fluorophenyl) ester Formula: C22H17ClFNO4S MolecularWeight: 445.891083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)OC4=CC(=CC=C4)F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)OC4=CC(=CC=C4)F

InChI

InChI=1S/C22H17ClFNO4S/c23-21-9-8-19(13-20(21)22(26)29-18-7-3-6-17(24)12-18)30(27,28)25-11-10-15-4-1-2-5-16(15)14-25/h1-9,12-13H,10-11,14H2