4-[1-(dimethylamino)-3-[2-(phenylsulfonyl)phenoxy]propan-2-yl]oxy-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[1-(dimethylamino)-3-[2-(phenylsulfonyl)phenoxy]propan-2-yl]oxy-4-oxidanylidene-butanoic acid Openeye Name: 4-[1-[[2-(benzenesulfonyl)phenoxy]methyl]-2-(dimethylamino)ethoxy]-4-oxo-butanoic acid CAS Name: 4-[1-[2-(benzenesulfonyl)phenoxy]-3-(dimethylamino)propan-2-yl]oxy-4-oxobutanoic acid IUPAC Name: 4-[1-[2-(benzenesulfonyl)phenoxy]-3-(dimethylamino)propan-2-yl]oxy-4-oxobutanoic acid Traditional Name: 4-[1-[(2-besylphenoxy)methyl]-2-(dimethylamino)ethoxy]-4-keto-butyric acid Formula: C21H25NO7S MolecularWeight: 435.4907

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(COC1=CC=CC=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)CCC(=O)O

Isomeric SMILES

CN(C)CC(COC1=CC=CC=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)CCC(=O)O

InChI

InChI=1S/C21H25NO7S/c1-22(2)14-16(29-21(25)13-12-20(23)24)15-28-18-10-6-7-11-19(18)30(26,27)17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3,(H,23,24)