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

Systemtic Name: 2-[4-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]sulfonyl-2-methyl-phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]sulfonyl-2-methyl-phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[[4-(3,4-dimethoxyphenyl)-1-piperazinyl]sulfonyl]-2-methylphenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]sulfonyl-2-methylphenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[4-(3,4-dimethoxyphenyl)piperazino]sulfonyl-2-methyl-phenoxy]-2-methyl-propionic acid Formula: C23H30N2O7S MolecularWeight: 478.5585

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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)OC)OC)OC(C)(C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O7S/c1-16-14-18(7-9-19(16)32-23(2,3)22(26)27)33(28,29)25-12-10-24(11-13-25)17-6-8-20(30-4)21(15-17)31-5/h6-9,14-15H,10-13H2,1-5H3,(H,26,27)