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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)pyridin-4-yl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-pyridyl]-4-fluoro-benzenesulfonamide CAS Name: N-[2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-4-pyridinyl]-4-fluorobenzenesulfonamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridin-4-yl]-4-fluorobenzenesulfonamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-pyridyl]-4-fluoro-benzenesulfonamide Formula: C21H18FN3O3S MolecularWeight: 411.449323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18FN3O3S/c22-17-5-7-19(8-6-17)29(27,28)24-18-9-11-23-20(13-18)21(26)25-12-10-15-3-1-2-4-16(15)14-25/h1-9,11,13H,10,12,14H2,(H,23,24)