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

Systemtic Name: 2-[4-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]sulfonyl-2-methyl-phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]sulfonyl-2-methyl-phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]sulfonyl]-2-methylphenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]sulfonyl-2-methylphenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]sulfonyl-2-methyl-phenoxy]-2-methyl-propionic acid Formula: C28H31ClN2O5S MolecularWeight: 543.07414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31ClN2O5S/c1-20-19-24(13-14-25(20)36-28(2,3)27(32)33)37(34,35)31-17-15-30(16-18-31)26(21-7-5-4-6-8-21)22-9-11-23(29)12-10-22/h4-14,19,26H,15-18H2,1-3H3,(H,32,33)