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

Systemtic Name: N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-4-ethoxy-3-fluoranyl-benzenesulfonamide Openeye Name: N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-4-ethoxy-3-fluoro-benzenesulfonamide CAS Name: N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-4-ethoxy-3-fluorobenzenesulfonamide IUPAC Name: N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-4-ethoxy-3-fluorobenzenesulfonamide Traditional Name: N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-4-ethoxy-3-fluoro-benzenesulfonamide Formula: C25H27FN2O3S MolecularWeight: 454.556883

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)NCCC2=CC=C(C=C2)N3CCC4=CC=CC=C4C3)F

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)NCCC2=CC=C(C=C2)N3CCC4=CC=CC=C4C3)F

InChI

InChI=1S/C25H27FN2O3S/c1-2-31-25-12-11-23(17-24(25)26)32(29,30)27-15-13-19-7-9-22(10-8-19)28-16-14-20-5-3-4-6-21(20)18-28/h3-12,17,27H,2,13-16,18H2,1H3