ethanedioic acid; N-[3-[2-(5-fluoranyl-2-methoxy-phenoxy)ethylamino]propyl]-2-methoxy-N-methyl-benzenesulfonamide

Systemtic Name: ethanedioic acid; N-[3-[2-(5-fluoranyl-2-methoxy-phenoxy)ethylamino]propyl]-2-methoxy-N-methyl-benzenesulfonamide Openeye Name: N-[3-[2-(5-fluoro-2-methoxy-phenoxy)ethylamino]propyl]-2-methoxy-N-methyl-benzenesulfonamide; oxalic acid CAS Name: N-[3-[2-(5-fluoro-2-methoxyphenoxy)ethylamino]propyl]-2-methoxy-N-methylbenzenesulfonamide; oxalic acid IUPAC Name: N-[3-[2-(5-fluoro-2-methoxyphenoxy)ethylamino]propyl]-2-methoxy-N-methylbenzenesulfonamide; oxalic acid Traditional Name: N-[3-[2-(5-fluoro-2-methoxy-phenoxy)ethylamino]propyl]-2-methoxy-N-methyl-benzenesulfonamide; oxalic acid Formula: C22H29FN2O9S MolecularWeight: 516.537063

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNCCOC1=C(C=CC(=C1)F)OC)S(=O)(=O)C2=CC=CC=C2OC.C(=O)(C(=O)O)O

Isomeric SMILES

CN(CCCNCCOC1=C(C=CC(=C1)F)OC)S(=O)(=O)C2=CC=CC=C2OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H27FN2O5S.C2H2O4/c1-23(29(24,25)20-8-5-4-7-18(20)27-3)13-6-11-22-12-14-28-19-15-16(21)9-10-17(19)26-2;3-1(4)2(5)6/h4-5,7-10,15,22H,6,11-14H2,1-3H3;(H,3,4)(H,5,6)