N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-1-(3-fluorophenyl)methanesulfonamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-1-(3-fluorophenyl)methanesulfonamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-1-(3-fluorophenyl)methanesulfonamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-1-(3-fluorophenyl)methanesulfonamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-1-(3-fluorophenyl)methanesulfonamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-1-(3-fluorophenyl)methanesulfonamide Formula: C22H23FN2O2S2 MolecularWeight: 430.558623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(CNS(=O)(=O)CC3=CC(=CC=C3)F)C4=CSC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(CNS(=O)(=O)CC3=CC(=CC=C3)F)C4=CSC=C4

InChI

InChI=1S/C22H23FN2O2S2/c23-21-7-3-4-17(12-21)16-29(26,27)24-13-22(20-9-11-28-15-20)25-10-8-18-5-1-2-6-19(18)14-25/h1-7,9,11-12,15,22,24H,8,10,13-14,16H2