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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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