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

Systemtic Name: 2-[5-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]sulfonyl-2-methyl-phenyl]ethanoic acid Openeye Name: 2-[5-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]sulfonyl-2-methyl-phenyl]acetic acid CAS Name: 2-[5-[[4-(3,4-dimethoxyphenyl)-1-piperazinyl]sulfonyl]-2-methylphenyl]acetic acid IUPAC Name: 2-[5-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]sulfonyl-2-methylphenyl]acetic acid Traditional Name: 2-[5-[4-(3,4-dimethoxyphenyl)piperazino]sulfonyl-2-methyl-phenyl]acetic acid Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O6S/c1-15-4-6-18(12-16(15)13-21(24)25)30(26,27)23-10-8-22(9-11-23)17-5-7-19(28-2)20(14-17)29-3/h4-7,12,14H,8-11,13H2,1-3H3,(H,24,25)