N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(4-pyridin-4-ylsulfonylphenoxy)propan-1-amine; ethanedioic acid

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(4-pyridin-4-ylsulfonylphenoxy)propan-1-amine; ethanedioic acid Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(4-pyridylsulfonyl)phenoxy]propan-1-amine; oxalic acid CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(4-pyridin-4-ylsulfonylphenoxy)-1-propanamine; oxalic acid IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(4-pyridin-4-ylsulfonylphenoxy)propan-1-amine; oxalic acid Traditional Name: homoveratryl-methyl-[3-[4-(4-pyridylsulfonyl)phenoxy]propyl]amine; oxalic acid Formula: C27H32N2O9S MolecularWeight: 560.61598

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCOC1=CC=C(C=C1)S(=O)(=O)C2=CC=NC=C2)CCC3=CC(=C(C=C3)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CN(CCCOC1=CC=C(C=C1)S(=O)(=O)C2=CC=NC=C2)CCC3=CC(=C(C=C3)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H30N2O5S.C2H2O4/c1-27(17-13-20-5-10-24(30-2)25(19-20)31-3)16-4-18-32-21-6-8-22(9-7-21)33(28,29)23-11-14-26-15-12-23;3-1(4)2(5)6/h5-12,14-15,19H,4,13,16-18H2,1-3H3;(H,3,4)(H,5,6)