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

Systemtic Name: 2-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[[4-(3,4-dichlorophenyl)-1-piperazinyl]sulfonyl]-2-methylphenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]sulfonyl-2-methylphenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[4-(3,4-dichlorophenyl)piperazino]sulfonyl-2-methyl-phenoxy]-2-methyl-propionic acid Formula: C21H24Cl2N2O5S MolecularWeight: 487.39666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)Cl)Cl)OC(C)(C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)Cl)Cl)OC(C)(C)C(=O)O

InChI

InChI=1S/C21H24Cl2N2O5S/c1-14-12-16(5-7-19(14)30-21(2,3)20(26)27)31(28,29)25-10-8-24(9-11-25)15-4-6-17(22)18(23)13-15/h4-7,12-13H,8-11H2,1-3H3,(H,26,27)