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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-N-(4-ethoxyphenyl)-4-fluoranyl-benzenesulfonamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-N-(4-ethoxyphenyl)-4-fluoro-benzenesulfonamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)-4-fluorobenzenesulfonamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)-4-fluorobenzenesulfonamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-4-fluoro-N-p-phenetyl-benzenesulfonamide Formula: C25H25FN2O4S MolecularWeight: 468.540403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CC(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CC(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H25FN2O4S/c1-2-32-23-11-9-22(10-12-23)28(33(30,31)24-13-7-21(26)8-14-24)18-25(29)27-16-15-19-5-3-4-6-20(19)17-27/h3-14H,2,15-18H2,1H3