N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-2,6-bis(fluoranyl)benzenesulfonamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-2,6-bis(fluoranyl)benzenesulfonamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-2,6-difluoro-benzenesulfonamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-2,6-difluorobenzenesulfonamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-2,6-difluorobenzenesulfonamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-2,6-difluoro-benzenesulfonamide Formula: C21H20F2N2O2S2 MolecularWeight: 434.522506

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(CNS(=O)(=O)C3=C(C=CC=C3F)F)C4=CSC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(CNS(=O)(=O)C3=C(C=CC=C3F)F)C4=CSC=C4

InChI

InChI=1S/C21H20F2N2O2S2/c22-18-6-3-7-19(23)21(18)29(26,27)24-12-20(17-9-11-28-14-17)25-10-8-15-4-1-2-5-16(15)13-25/h1-7,9,11,14,20,24H,8,10,12-13H2