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

Systemtic Name: 2-[4-[4-(2-cyanophenyl)piperazin-1-yl]sulfonyl-2-methyl-phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[4-(2-cyanophenyl)piperazin-1-yl]sulfonyl-2-methyl-phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[[4-(2-cyanophenyl)-1-piperazinyl]sulfonyl]-2-methylphenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[4-(2-cyanophenyl)piperazin-1-yl]sulfonyl-2-methylphenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[4-(2-cyanophenyl)piperazino]sulfonyl-2-methyl-phenoxy]-2-methyl-propionic acid Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3C#N)OC(C)(C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3C#N)OC(C)(C)C(=O)O

InChI

InChI=1S/C22H25N3O5S/c1-16-14-18(8-9-20(16)30-22(2,3)21(26)27)31(28,29)25-12-10-24(11-13-25)19-7-5-4-6-17(19)15-23/h4-9,14H,10-13H2,1-3H3,(H,26,27)