2-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[4-(4-fluorophenyl)piperazino]sulfonylphenoxy]-2-methyl-propionic acid Formula: C20H23FN2O5S MolecularWeight: 422.470423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H23FN2O5S/c1-20(2,19(24)25)28-17-7-9-18(10-8-17)29(26,27)23-13-11-22(12-14-23)16-5-3-15(21)4-6-16/h3-10H,11-14H2,1-2H3,(H,24,25)