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

Systemtic Name: 2-[3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-4-phenethyloxy-phenyl]ethanoic acid Openeye Name: 2-[4-phenethyloxy-3-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]phenyl]acetic acid CAS Name: 2-[3-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]-4-phenethyloxyphenyl]acetic acid IUPAC Name: 2-[3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-4-phenethyloxyphenyl]acetic acid Traditional Name: 2-[4-phenethyloxy-3-[(4-tosylpiperazino)methyl]phenyl]acetic acid Formula: C28H32N2O5S MolecularWeight: 508.62908

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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)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=C(C=CC(=C3)CC(=O)O)OCCC4=CC=CC=C4

InChI

InChI=1S/C28H32N2O5S/c1-22-7-10-26(11-8-22)36(33,34)30-16-14-29(15-17-30)21-25-19-24(20-28(31)32)9-12-27(25)35-18-13-23-5-3-2-4-6-23/h2-12,19H,13-18,20-21H2,1H3,(H,31,32)