2-[4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]sulfonylphenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]sulfonylphenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]sulfonylphenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[[4-(5-ethyl-2-pyrimidinyl)-1-piperazinyl]sulfonyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]sulfonylphenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[4-(5-ethylpyrimidin-2-yl)piperazino]sulfonylphenoxy]-2-methyl-propionic acid Formula: C20H26N4O5S MolecularWeight: 434.50924

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(N=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC(C)(C)C(=O)O

Isomeric SMILES

CCC1=CN=C(N=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC(C)(C)C(=O)O

InChI

InChI=1S/C20H26N4O5S/c1-4-15-13-21-19(22-14-15)23-9-11-24(12-10-23)30(27,28)17-7-5-16(6-8-17)29-20(2,3)18(25)26/h5-8,13-14H,4,9-12H2,1-3H3,(H,25,26)