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

Systemtic Name: N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-3-fluoranyl-benzenesulfonamide Openeye Name: N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-3-fluoro-benzenesulfonamide CAS Name: N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-3-fluorobenzenesulfonamide IUPAC Name: N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-3-fluorobenzenesulfonamide Traditional Name: N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-3-fluoro-benzenesulfonamide Formula: C23H23FN2O2S MolecularWeight: 410.504323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23FN2O2S/c24-21-6-3-7-23(16-21)29(27,28)25-14-12-18-8-10-22(11-9-18)26-15-13-19-4-1-2-5-20(19)17-26/h1-11,16,25H,12-15,17H2