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

Systemtic Name: 2-methyl-2-[4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylphenoxy]propanoic acid Openeye Name: 2-methyl-2-[4-[3-methyl-4-(m-tolyl)piperazin-1-yl]sulfonylphenoxy]propanoic acid CAS Name: 2-methyl-2-[4-[[3-methyl-4-(3-methylphenyl)-1-piperazinyl]sulfonyl]phenoxy]propanoic acid IUPAC Name: 2-methyl-2-[4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylphenoxy]propanoic acid Traditional Name: 2-methyl-2-[4-[3-methyl-4-(m-tolyl)piperazino]sulfonylphenoxy]propionic acid Formula: C22H28N2O5S MolecularWeight: 432.53312

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5S/c1-16-6-5-7-18(14-16)24-13-12-23(15-17(24)2)30(27,28)20-10-8-19(9-11-20)29-22(3,4)21(25)26/h5-11,14,17H,12-13,15H2,1-4H3,(H,25,26)