4-[2-(2-butoxy-5-fluoranyl-phenoxy)ethylamino]-2-methoxy-3-propyl-benzenesulfonamide

Systemtic Name: 4-[2-(2-butoxy-5-fluoranyl-phenoxy)ethylamino]-2-methoxy-3-propyl-benzenesulfonamide Openeye Name: 4-[2-(2-butoxy-5-fluoro-phenoxy)ethylamino]-2-methoxy-3-propyl-benzenesulfonamide CAS Name: 4-[2-(2-butoxy-5-fluorophenoxy)ethylamino]-2-methoxy-3-propylbenzenesulfonamide IUPAC Name: 4-[2-(2-butoxy-5-fluorophenoxy)ethylamino]-2-methoxy-3-propylbenzenesulfonamide Traditional Name: 4-[2-(2-butoxy-5-fluoro-phenoxy)ethylamino]-2-methoxy-3-propyl-benzenesulfonamide Formula: C22H31FN2O5S MolecularWeight: 454.555343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)F)OCCNC2=C(C(=C(C=C2)S(=O)(=O)N)OC)CCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)F)OCCNC2=C(C(=C(C=C2)S(=O)(=O)N)OC)CCC

InChI

InChI=1S/C22H31FN2O5S/c1-4-6-13-29-19-10-8-16(23)15-20(19)30-14-12-25-18-9-11-21(31(24,26)27)22(28-3)17(18)7-5-2/h8-11,15,25H,4-7,12-14H2,1-3H3,(H2,24,26,27)