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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(4-pyrimidin-2-ylsulfonylphenoxy)propan-1-amine; ethanedioic acid Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(4-pyrimidin-2-ylsulfonylphenoxy)propan-1-amine; oxalic acid CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(2-pyrimidinylsulfonyl)phenoxy]-1-propanamine; oxalic acid IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(4-pyrimidin-2-ylsulfonylphenoxy)propan-1-amine; oxalic acid Traditional Name: homoveratryl-methyl-[3-[4-(2-pyrimidylsulfonyl)phenoxy]propyl]amine; oxalic acid Formula: C26H31N3O9S MolecularWeight: 561.60404

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCOC1=CC=C(C=C1)S(=O)(=O)C2=NC=CC=N2)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=NC=CC=N2)CCC3=CC(=C(C=C3)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H29N3O5S.C2H2O4/c1-27(16-12-19-6-11-22(30-2)23(18-19)31-3)15-5-17-32-20-7-9-21(10-8-20)33(28,29)24-25-13-4-14-26-24;3-1(4)2(5)6/h4,6-11,13-14,18H,5,12,15-17H2,1-3H3;(H,3,4)(H,5,6)