2-[3-[4-(3,4-dimethylphenyl)piperazin-1-yl]sulfonyl-5-methyl-phenyl]ethanoic acid

Systemtic Name: 2-[3-[4-(3,4-dimethylphenyl)piperazin-1-yl]sulfonyl-5-methyl-phenyl]ethanoic acid Openeye Name: 2-[3-[4-(3,4-dimethylphenyl)piperazin-1-yl]sulfonyl-5-methyl-phenyl]acetic acid CAS Name: 2-[3-[[4-(3,4-dimethylphenyl)-1-piperazinyl]sulfonyl]-5-methylphenyl]acetic acid IUPAC Name: 2-[3-[4-(3,4-dimethylphenyl)piperazin-1-yl]sulfonyl-5-methylphenyl]acetic acid Traditional Name: 2-[3-[4-(3,4-dimethylphenyl)piperazino]sulfonyl-5-methyl-phenyl]acetic acid Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-15-10-18(14-21(24)25)13-20(11-15)28(26,27)23-8-6-22(7-9-23)19-5-4-16(2)17(3)12-19/h4-5,10-13H,6-9,14H2,1-3H3,(H,24,25)