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

Systemtic Name: 2-[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonyl-2-methyl-phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-(4-benzhydrylpiperazin-1-yl)sulfonyl-2-methyl-phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]-2-methylphenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-(4-benzhydrylpiperazin-1-yl)sulfonyl-2-methylphenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-(4-benzhydrylpiperazino)sulfonyl-2-methyl-phenoxy]-2-methyl-propionic acid Formula: C28H32N2O5S MolecularWeight: 508.62908

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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=CC=C4)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=CC=C4)OC(C)(C)C(=O)O

InChI

InChI=1S/C28H32N2O5S/c1-21-20-24(14-15-25(21)35-28(2,3)27(31)32)36(33,34)30-18-16-29(17-19-30)26(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-15,20,26H,16-19H2,1-3H3,(H,31,32)