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

Systemtic Name: 3-chloranyl-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]-4-fluoranyl-benzenesulfonamide Openeye Name: 3-chloro-N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4-fluoro-benzenesulfonamide CAS Name: 3-chloro-N-[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]phenyl]-4-fluorobenzenesulfonamide IUPAC Name: 3-chloro-N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4-fluorobenzenesulfonamide Traditional Name: 3-chloro-N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4-fluoro-benzenesulfonamide Formula: C22H18ClFN2O3S MolecularWeight: 444.906323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClFN2O3S/c23-20-13-19(9-10-21(20)24)30(28,29)25-18-7-5-16(6-8-18)22(27)26-12-11-15-3-1-2-4-17(15)14-26/h1-10,13,25H,11-12,14H2