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

Systemtic Name: 2-[3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-4-phenethyl-phenyl]ethanoic acid Openeye Name: 2-[4-phenethyl-3-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]phenyl]acetic acid CAS Name: 2-[3-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]-4-phenethylphenyl]acetic acid IUPAC Name: 2-[3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-4-phenethylphenyl]acetic acid Traditional Name: 2-[4-phenethyl-3-[(4-tosylpiperazino)methyl]phenyl]acetic acid Formula: C28H32N2O4S MolecularWeight: 492.62968

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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)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=C(C=CC(=C3)CC(=O)O)CCC4=CC=CC=C4

InChI

InChI=1S/C28H32N2O4S/c1-22-7-13-27(14-8-22)35(33,34)30-17-15-29(16-18-30)21-26-19-24(20-28(31)32)10-12-25(26)11-9-23-5-3-2-4-6-23/h2-8,10,12-14,19H,9,11,15-18,20-21H2,1H3,(H,31,32)