2-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-2-methyl-phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-2-methyl-phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-2-methyl-phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[[4-(2-ethoxyphenyl)-1-piperazinyl]sulfonyl]-2-methylphenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-2-methylphenoxy]-2-methylpropanoic acid Traditional Name: 2-methyl-2-[2-methyl-4-(4-o-phenetylpiperazino)sulfonyl-phenoxy]propionic acid Formula: C23H30N2O6S MolecularWeight: 462.5591

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC(C)(C)C(=O)O)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC(C)(C)C(=O)O)C

InChI

InChI=1S/C23H30N2O6S/c1-5-30-21-9-7-6-8-19(21)24-12-14-25(15-13-24)32(28,29)18-10-11-20(17(2)16-18)31-23(3,4)22(26)27/h6-11,16H,5,12-15H2,1-4H3,(H,26,27)