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

Systemtic Name: 3-chloranyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-4-fluoranyl-benzenesulfonamide Openeye Name: 3-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-4-fluoro-benzenesulfonamide CAS Name: 3-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-4-fluorobenzenesulfonamide IUPAC Name: 3-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-4-fluorobenzenesulfonamide Traditional Name: 3-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-4-fluoro-benzenesulfonamide Formula: C21H20ClFN2O2S2 MolecularWeight: 450.977103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClFN2O2S2/c22-19-11-18(5-6-20(19)23)29(26,27)24-12-21(17-8-10-28-14-17)25-9-7-15-3-1-2-4-16(15)13-25/h1-6,8,10-11,14,21,24H,7,9,12-13H2