N-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]-4-fluoranyl-benzenesulfonamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4-fluoro-benzenesulfonamide CAS Name: N-[2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]phenyl]-4-fluorobenzenesulfonamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4-fluorobenzenesulfonamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4-fluoro-benzenesulfonamide Formula: C22H19FN2O3S MolecularWeight: 410.461263

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H19FN2O3S/c23-18-9-11-19(12-10-18)29(27,28)24-21-8-4-3-7-20(21)22(26)25-14-13-16-5-1-2-6-17(16)15-25/h1-12,24H,13-15H2