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

Systemtic Name: 2-[3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-4-phenylmethoxy-phenyl]ethanoic acid Openeye Name: 2-[4-benzyloxy-3-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]phenyl]acetic acid CAS Name: 2-[3-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]-4-phenylmethoxyphenyl]acetic acid IUPAC Name: 2-[3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-4-phenylmethoxyphenyl]acetic acid Traditional Name: 2-[4-benzoxy-3-[(4-tosylpiperazino)methyl]phenyl]acetic acid Formula: C27H30N2O5S MolecularWeight: 494.6025

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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)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=C(C=CC(=C3)CC(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O5S/c1-21-7-10-25(11-8-21)35(32,33)29-15-13-28(14-16-29)19-24-17-23(18-27(30)31)9-12-26(24)34-20-22-5-3-2-4-6-22/h2-12,17H,13-16,18-20H2,1H3,(H,30,31)