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

Systemtic Name: 2-[4-[4-(3,4-dimethylphenyl)-3-methyl-piperazin-1-yl]sulfonyl-2-methyl-phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[4-(3,4-dimethylphenyl)-3-methyl-piperazin-1-yl]sulfonyl-2-methyl-phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[[4-(3,4-dimethylphenyl)-3-methyl-1-piperazinyl]sulfonyl]-2-methylphenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[4-(3,4-dimethylphenyl)-3-methylpiperazin-1-yl]sulfonyl-2-methylphenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[4-(3,4-dimethylphenyl)-3-methyl-piperazino]sulfonyl-2-methyl-phenoxy]-2-methyl-propionic acid Formula: C24H32N2O5S MolecularWeight: 460.58628

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC(=C(C=C2)C)C)S(=O)(=O)C3=CC(=C(C=C3)OC(C)(C)C(=O)O)C

Isomeric SMILES

CC1CN(CCN1C2=CC(=C(C=C2)C)C)S(=O)(=O)C3=CC(=C(C=C3)OC(C)(C)C(=O)O)C

InChI

InChI=1S/C24H32N2O5S/c1-16-7-8-20(13-17(16)2)26-12-11-25(15-19(26)4)32(29,30)21-9-10-22(18(3)14-21)31-24(5,6)23(27)28/h7-10,13-14,19H,11-12,15H2,1-6H3,(H,27,28)