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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-fluoranyl-4-methoxy-benzenesulfonamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-fluoro-4-methoxy-benzenesulfonamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-fluoro-4-methoxybenzenesulfonamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-fluoro-4-methoxybenzenesulfonamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-fluoro-4-methoxy-benzenesulfonamide Formula: C18H21FN2O3S MolecularWeight: 364.434343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCCN2CCC3=CC=CC=C3C2)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCN2CCC3=CC=CC=C3C2)F

InChI

InChI=1S/C18H21FN2O3S/c1-24-18-7-6-16(12-17(18)19)25(22,23)20-9-11-21-10-8-14-4-2-3-5-15(14)13-21/h2-7,12,20H,8-11,13H2,1H3