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

Systemtic Name: N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-3-fluoranyl-benzenesulfonamide Openeye Name: N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-3-fluoro-benzenesulfonamide CAS Name: N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-3-fluorobenzenesulfonamide IUPAC Name: N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-3-fluorobenzenesulfonamide Traditional Name: N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-3-fluoro-benzenesulfonamide Formula: C21H21FN2O2S2 MolecularWeight: 416.532043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CN(CC2=CC=CC=C21)[C@@H](CNS(=O)(=O)C3=CC=CC(=C3)F)C4=CSC=C4

InChI

InChI=1S/C21H21FN2O2S2/c22-19-6-3-7-20(12-19)28(25,26)23-13-21(18-9-11-27-15-18)24-10-8-16-4-1-2-5-17(16)14-24/h1-7,9,11-12,15,21,23H,8,10,13-14H2/t21-/m0/s1