ethanedioic acid; 3-(4-fluoranylphenoxy)-N,N-dimethyl-3-(4-methylsulfonylphenyl)propan-1-amine

Systemtic Name: ethanedioic acid; 3-(4-fluoranylphenoxy)-N,N-dimethyl-3-(4-methylsulfonylphenyl)propan-1-amine Openeye Name: 3-(4-fluorophenoxy)-N,N-dimethyl-3-(4-methylsulfonylphenyl)propan-1-amine; oxalic acid CAS Name: 3-(4-fluorophenoxy)-N,N-dimethyl-3-(4-methylsulfonylphenyl)-1-propanamine; oxalic acid IUPAC Name: 3-(4-fluorophenoxy)-N,N-dimethyl-3-(4-methylsulfonylphenyl)propan-1-amine; oxalic acid Traditional Name: [3-(4-fluorophenoxy)-3-(4-mesylphenyl)propyl]-dimethyl-amine; oxalic acid Formula: C20H24FNO7S MolecularWeight: 441.470463

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(C1=CC=C(C=C1)S(=O)(=O)C)OC2=CC=C(C=C2)F.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)CCC(C1=CC=C(C=C1)S(=O)(=O)C)OC2=CC=C(C=C2)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H22FNO3S.C2H2O4/c1-20(2)13-12-18(23-16-8-6-15(19)7-9-16)14-4-10-17(11-5-14)24(3,21)22;3-1(4)2(5)6/h4-11,18H,12-13H2,1-3H3;(H,3,4)(H,5,6)