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

Systemtic Name: 2-[4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methyl-phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methyl-phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[[4-(3-methoxyphenyl)-1-piperazinyl]sulfonyl]-2-methylphenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methylphenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[4-(3-methoxyphenyl)piperazino]sulfonyl-2-methyl-phenoxy]-2-methyl-propionic acid Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O6S/c1-16-14-19(8-9-20(16)30-22(2,3)21(25)26)31(27,28)24-12-10-23(11-13-24)17-6-5-7-18(15-17)29-4/h5-9,14-15H,10-13H2,1-4H3,(H,25,26)