ethanedioic acid; 2-ethoxy-5-[2-[2-(5-fluoranyl-2-methoxy-phenoxy)ethylamino]propyl]-N-methyl-benzenesulfonamide

Systemtic Name: ethanedioic acid; 2-ethoxy-5-[2-[2-(5-fluoranyl-2-methoxy-phenoxy)ethylamino]propyl]-N-methyl-benzenesulfonamide Openeye Name: 2-ethoxy-5-[2-[2-(5-fluoro-2-methoxy-phenoxy)ethylamino]propyl]-N-methyl-benzenesulfonamide; oxalic acid CAS Name: 2-ethoxy-5-[2-[2-(5-fluoro-2-methoxyphenoxy)ethylamino]propyl]-N-methylbenzenesulfonamide; oxalic acid IUPAC Name: 2-ethoxy-5-[2-[2-(5-fluoro-2-methoxyphenoxy)ethylamino]propyl]-N-methylbenzenesulfonamide; oxalic acid Traditional Name: 2-ethoxy-5-[2-[2-(5-fluoro-2-methoxy-phenoxy)ethylamino]propyl]-N-methyl-benzenesulfonamide; oxalic acid Formula: C23H31FN2O9S MolecularWeight: 530.563643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CC(C)NCCOC2=C(C=CC(=C2)F)OC)S(=O)(=O)NC.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)CC(C)NCCOC2=C(C=CC(=C2)F)OC)S(=O)(=O)NC.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H29FN2O5S.C2H2O4/c1-5-28-19-8-6-16(13-21(19)30(25,26)23-3)12-15(2)24-10-11-29-20-14-17(22)7-9-18(20)27-4;3-1(4)2(5)6/h6-9,13-15,23-24H,5,10-12H2,1-4H3;(H,3,4)(H,5,6)