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

Systemtic Name: 4-[1-(dimethylamino)-1-oxidanylidene-3-[2-(phenylsulfonyl)phenoxy]propan-2-yl]oxy-4-oxidanylidene-butanoic acid Openeye Name: 4-[1-[[2-(benzenesulfonyl)phenoxy]methyl]-2-(dimethylamino)-2-oxo-ethoxy]-4-oxo-butanoic acid CAS Name: 4-[3-[2-(benzenesulfonyl)phenoxy]-1-(dimethylamino)-1-oxopropan-2-yl]oxy-4-oxobutanoic acid IUPAC Name: 4-[3-[2-(benzenesulfonyl)phenoxy]-1-(dimethylamino)-1-oxopropan-2-yl]oxy-4-oxobutanoic acid Traditional Name: 4-[1-[(2-besylphenoxy)methyl]-2-(dimethylamino)-2-keto-ethoxy]-4-keto-butyric acid Formula: C21H23NO8S MolecularWeight: 449.47422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO8S/c1-22(2)21(26)17(30-20(25)13-12-19(23)24)14-29-16-10-6-7-11-18(16)31(27,28)15-8-4-3-5-9-15/h3-11,17H,12-14H2,1-2H3,(H,23,24)