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

Systemtic Name: 4-[1-(dimethylamino)-1-oxidanylidene-3-[2-(phenylsulfonyl)phenoxy]propan-2-yl]oxy-4-oxidanylidene-butanoic acid hydrochloride Openeye Name: 4-[1-[[2-(benzenesulfonyl)phenoxy]methyl]-2-(dimethylamino)-2-oxo-ethoxy]-4-oxo-butanoic acid hydrochloride CAS Name: 4-[3-[2-(benzenesulfonyl)phenoxy]-1-(dimethylamino)-1-oxopropan-2-yl]oxy-4-oxobutanoic acid hydrochloride IUPAC Name: 4-[3-[2-(benzenesulfonyl)phenoxy]-1-(dimethylamino)-1-oxopropan-2-yl]oxy-4-oxobutanoic acid hydrochloride Traditional Name: 4-[1-[(2-besylphenoxy)methyl]-2-(dimethylamino)-2-keto-ethoxy]-4-keto-butyric acid hydrochloride Formula: C21H24ClNO8S MolecularWeight: 485.93516

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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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO8S.ClH/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);1H