N,N-dimethyl-3-(4-methylsulfonylphenoxy)-3-phenyl-propan-1-amine; ethanedioic acid

Systemtic Name: N,N-dimethyl-3-(4-methylsulfonylphenoxy)-3-phenyl-propan-1-amine; ethanedioic acid Openeye Name: N,N-dimethyl-3-(4-methylsulfonylphenoxy)-3-phenyl-propan-1-amine; oxalic acid CAS Name: N,N-dimethyl-3-(4-methylsulfonylphenoxy)-3-phenyl-1-propanamine; oxalic acid IUPAC Name: N,N-dimethyl-3-(4-methylsulfonylphenoxy)-3-phenylpropan-1-amine; oxalic acid Traditional Name: [3-(4-mesylphenoxy)-3-phenyl-propyl]-dimethyl-amine; oxalic acid Formula: C20H25NO7S MolecularWeight: 423.48

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO3S.C2H2O4/c1-19(2)14-13-18(15-7-5-4-6-8-15)22-16-9-11-17(12-10-16)23(3,20)21;3-1(4)2(5)6/h4-12,18H,13-14H2,1-3H3;(H,3,4)(H,5,6)