5-[3-[2-(2-ethoxy-3-fluoranyl-phenoxy)ethylamino]propyl]-2-propoxy-benzenesulfonamide

Systemtic Name: 5-[3-[2-(2-ethoxy-3-fluoranyl-phenoxy)ethylamino]propyl]-2-propoxy-benzenesulfonamide Openeye Name: 5-[3-[2-(2-ethoxy-3-fluoro-phenoxy)ethylamino]propyl]-2-propoxy-benzenesulfonamide CAS Name: 5-[3-[2-(2-ethoxy-3-fluorophenoxy)ethylamino]propyl]-2-propoxybenzenesulfonamide IUPAC Name: 5-[3-[2-(2-ethoxy-3-fluorophenoxy)ethylamino]propyl]-2-propoxybenzenesulfonamide Traditional Name: 5-[3-[2-(2-ethoxy-3-fluoro-phenoxy)ethylamino]propyl]-2-propoxy-benzenesulfonamide Formula: C22H31FN2O5S MolecularWeight: 454.555343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CCCNCCOC2=C(C(=CC=C2)F)OCC)S(=O)(=O)N

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CCCNCCOC2=C(C(=CC=C2)F)OCC)S(=O)(=O)N

InChI

InChI=1S/C22H31FN2O5S/c1-3-14-29-19-11-10-17(16-21(19)31(24,26)27)7-6-12-25-13-15-30-20-9-5-8-18(23)22(20)28-4-2/h5,8-11,16,25H,3-4,6-7,12-15H2,1-2H3,(H2,24,26,27)