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

Systemtic Name: N-[[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]methyl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]-4-fluoro-benzenesulfonamide CAS Name: N-[[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]phenyl]methyl]-4-fluorobenzenesulfonamide IUPAC Name: N-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]-4-fluorobenzenesulfonamide Traditional Name: N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzyl]-4-fluoro-benzenesulfonamide Formula: C23H21FN2O3S MolecularWeight: 424.487843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21FN2O3S/c24-21-9-11-22(12-10-21)30(28,29)25-15-17-5-7-19(8-6-17)23(27)26-14-13-18-3-1-2-4-20(18)16-26/h1-12,25H,13-16H2