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

Systemtic Name: 2-[4-[4-(2,4-dimethylphenyl)piperazin-1-yl]sulfonylphenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[4-(2,4-dimethylphenyl)piperazin-1-yl]sulfonylphenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[[4-(2,4-dimethylphenyl)-1-piperazinyl]sulfonyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[4-(2,4-dimethylphenyl)piperazin-1-yl]sulfonylphenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[4-(2,4-dimethylphenyl)piperazino]sulfonylphenoxy]-2-methyl-propionic acid Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5S/c1-16-5-10-20(17(2)15-16)23-11-13-24(14-12-23)30(27,28)19-8-6-18(7-9-19)29-22(3,4)21(25)26/h5-10,15H,11-14H2,1-4H3,(H,25,26)