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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)S(=O)(=O)C3=CC(=CC(=C3)CC(=O)O)C

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)S(=O)(=O)C3=CC(=CC(=C3)CC(=O)O)C

InChI

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