ethanedioic acid; N-[2-(2-ethoxyphenoxy)ethyl]-3-(phenylsulfonyl)propan-1-amine

Systemtic Name: ethanedioic acid; N-[2-(2-ethoxyphenoxy)ethyl]-3-(phenylsulfonyl)propan-1-amine Openeye Name: 3-(benzenesulfonyl)-N-[2-(2-ethoxyphenoxy)ethyl]propan-1-amine; oxalic acid CAS Name: 3-(benzenesulfonyl)-N-[2-(2-ethoxyphenoxy)ethyl]-1-propanamine; oxalic acid IUPAC Name: 3-(benzenesulfonyl)-N-[2-(2-ethoxyphenoxy)ethyl]propan-1-amine; oxalic acid Traditional Name: 3-besylpropyl-[2-(2-ethoxyphenoxy)ethyl]amine; oxalic acid Formula: C21H27NO8S MolecularWeight: 453.50598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OCCNCCCS(=O)(=O)C2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=CC=CC=C1OCCNCCCS(=O)(=O)C2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H25NO4S.C2H2O4/c1-2-23-18-11-6-7-12-19(18)24-15-14-20-13-8-16-25(21,22)17-9-4-3-5-10-17;3-1(4)2(5)6/h3-7,9-12,20H,2,8,13-16H2,1H3;(H,3,4)(H,5,6)