2-methyl-2-[2-methyl-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl-phenoxy]propanoic acid

Systemtic Name: 2-methyl-2-[2-methyl-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl-phenoxy]propanoic acid Openeye Name: 2-methyl-2-[2-methyl-4-[3-methyl-4-(m-tolyl)piperazin-1-yl]sulfonyl-phenoxy]propanoic acid CAS Name: 2-methyl-2-[2-methyl-4-[[3-methyl-4-(3-methylphenyl)-1-piperazinyl]sulfonyl]phenoxy]propanoic acid IUPAC Name: 2-methyl-2-[2-methyl-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylphenoxy]propanoic acid Traditional Name: 2-methyl-2-[2-methyl-4-[3-methyl-4-(m-tolyl)piperazino]sulfonyl-phenoxy]propionic acid Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O5S/c1-16-7-6-8-19(13-16)25-12-11-24(15-18(25)3)31(28,29)20-9-10-21(17(2)14-20)30-23(4,5)22(26)27/h6-10,13-14,18H,11-12,15H2,1-5H3,(H,26,27)