ethanedioic acid; 1-(4-methoxy-3-methylsulfonyl-phenyl)-N-[2-(2-methoxyphenoxy)ethyl]propan-2-amine

Systemtic Name: ethanedioic acid; 1-(4-methoxy-3-methylsulfonyl-phenyl)-N-[2-(2-methoxyphenoxy)ethyl]propan-2-amine Openeye Name: 1-(4-methoxy-3-methylsulfonyl-phenyl)-N-[2-(2-methoxyphenoxy)ethyl]propan-2-amine; oxalic acid CAS Name: 1-(4-methoxy-3-methylsulfonylphenyl)-N-[2-(2-methoxyphenoxy)ethyl]-2-propanamine; oxalic acid IUPAC Name: 1-(4-methoxy-3-methylsulfonylphenyl)-N-[2-(2-methoxyphenoxy)ethyl]propan-2-amine; oxalic acid Traditional Name: [2-(3-mesyl-4-methoxy-phenyl)-1-methyl-ethyl]-[2-(2-methoxyphenoxy)ethyl]amine; oxalic acid Formula: C22H29NO9S MolecularWeight: 483.53196

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)OC)S(=O)(=O)C)NCCOC2=CC=CC=C2OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC(CC1=CC(=C(C=C1)OC)S(=O)(=O)C)NCCOC2=CC=CC=C2OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H27NO5S.C2H2O4/c1-15(21-11-12-26-18-8-6-5-7-17(18)24-2)13-16-9-10-19(25-3)20(14-16)27(4,22)23;3-1(4)2(5)6/h5-10,14-15,21H,11-13H2,1-4H3;(H,3,4)(H,5,6)