2-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]sulfonylphenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]sulfonylphenoxy]-2-methyl-propanoic acid Openeye Name: 2-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]sulfonylphenoxy]-2-methyl-propanoic acid CAS Name: 2-[3-[[4-(3,4-dichlorophenyl)-1-piperazinyl]sulfonyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]sulfonylphenoxy]-2-methylpropanoic acid Traditional Name: 2-[3-[4-(3,4-dichlorophenyl)piperazino]sulfonylphenoxy]-2-methyl-propionic acid Formula: C20H22Cl2N2O5S MolecularWeight: 473.37008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H22Cl2N2O5S/c1-20(2,19(25)26)29-15-4-3-5-16(13-15)30(27,28)24-10-8-23(9-11-24)14-6-7-17(21)18(22)12-14/h3-7,12-13H,8-11H2,1-2H3,(H,25,26)