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

Systemtic Name: 2-[4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-2-methyl-phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-2-methyl-phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]sulfonyl]-2-methylphenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-2-methylphenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[4-[bis(4-fluorophenyl)methyl]piperazino]sulfonyl-2-methyl-phenoxy]-2-methyl-propionic acid Formula: C28H30F2N2O5S MolecularWeight: 544.610006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)OC(C)(C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)OC(C)(C)C(=O)O

InChI

InChI=1S/C28H30F2N2O5S/c1-19-18-24(12-13-25(19)37-28(2,3)27(33)34)38(35,36)32-16-14-31(15-17-32)26(20-4-8-22(29)9-5-20)21-6-10-23(30)11-7-21/h4-13,18,26H,14-17H2,1-3H3,(H,33,34)