2-[3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-phenyl]ethanoic acid

Systemtic Name: 2-[3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-phenyl]ethanoic acid Openeye Name: 2-[4-phenyl-3-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]phenyl]acetic acid CAS Name: 2-[3-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]-4-phenylphenyl]acetic acid IUPAC Name: 2-[3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-4-phenylphenyl]acetic acid Traditional Name: 2-[4-phenyl-3-[(4-tosylpiperazino)methyl]phenyl]acetic acid Formula: C26H28N2O4S MolecularWeight: 464.57652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=C(C=CC(=C3)CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=C(C=CC(=C3)CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C26H28N2O4S/c1-20-7-10-24(11-8-20)33(31,32)28-15-13-27(14-16-28)19-23-17-21(18-26(29)30)9-12-25(23)22-5-3-2-4-6-22/h2-12,17H,13-16,18-19H2,1H3,(H,29,30)