2-[4-[4-(5-chloranyl-2-methyl-phenyl)-3-methyl-piperazin-1-yl]sulfonyl-2-methyl-phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[4-(5-chloranyl-2-methyl-phenyl)-3-methyl-piperazin-1-yl]sulfonyl-2-methyl-phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[4-(5-chloro-2-methyl-phenyl)-3-methyl-piperazin-1-yl]sulfonyl-2-methyl-phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[[4-(5-chloro-2-methylphenyl)-3-methyl-1-piperazinyl]sulfonyl]-2-methylphenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[4-(5-chloro-2-methylphenyl)-3-methylpiperazin-1-yl]sulfonyl-2-methylphenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[4-(5-chloro-2-methyl-phenyl)-3-methyl-piperazino]sulfonyl-2-methyl-phenoxy]-2-methyl-propionic acid Formula: C23H29ClN2O5S MolecularWeight: 481.00476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29ClN2O5S/c1-15-6-7-18(24)13-20(15)26-11-10-25(14-17(26)3)32(29,30)19-8-9-21(16(2)12-19)31-23(4,5)22(27)28/h6-9,12-13,17H,10-11,14H2,1-5H3,(H,27,28)