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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-4-ethoxy-3-fluoranyl-benzenesulfonamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-4-ethoxy-3-fluoro-benzenesulfonamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-4-ethoxy-3-fluorobenzenesulfonamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-4-ethoxy-3-fluorobenzenesulfonamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-4-ethoxy-3-fluoro-benzenesulfonamide Formula: C23H25FN2O3S2 MolecularWeight: 460.584603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)NCC(C2=CSC=C2)N3CCC4=CC=CC=C4C3)F

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)NCC(C2=CSC=C2)N3CCC4=CC=CC=C4C3)F

InChI

InChI=1S/C23H25FN2O3S2/c1-2-29-23-8-7-20(13-21(23)24)31(27,28)25-14-22(19-10-12-30-16-19)26-11-9-17-5-3-4-6-18(17)15-26/h3-8,10,12-13,16,22,25H,2,9,11,14-15H2,1H3