2-[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-2-methyl-phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-2-methyl-phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-2-methyl-phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[[4-(2,5-dimethylphenyl)-1-piperazinyl]sulfonyl]-2-methylphenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-2-methylphenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[4-(2,5-dimethylphenyl)piperazino]sulfonyl-2-methyl-phenoxy]-2-methyl-propionic acid Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O5S/c1-16-6-7-17(2)20(14-16)24-10-12-25(13-11-24)31(28,29)19-8-9-21(18(3)15-19)30-23(4,5)22(26)27/h6-9,14-15H,10-13H2,1-5H3,(H,26,27)