4-[1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-1-oxidanylidene-propan-2-yl]sulfonyl-3-phenyl-butanoic acid

Systemtic Name: 4-[1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-1-oxidanylidene-propan-2-yl]sulfonyl-3-phenyl-butanoic acid Openeye Name: 4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-1,1-dimethyl-2-oxo-ethyl]sulfonyl-3-phenyl-butanoic acid CAS Name: 4-[1-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-1-oxopropan-2-yl]sulfonyl-3-phenylbutanoic acid IUPAC Name: 4-[1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-1-oxopropan-2-yl]sulfonyl-3-phenylbutanoic acid Traditional Name: 4-[2-[4-(2-hydroxyethyl)piperazino]-2-keto-1,1-dimethyl-ethyl]sulfonyl-3-phenyl-butyric acid Formula: C20H30N2O6S MolecularWeight: 426.527

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CCN(CC1)CCO)S(=O)(=O)CC(CC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C(=O)N1CCN(CC1)CCO)S(=O)(=O)CC(CC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C20H30N2O6S/c1-20(2,19(26)22-10-8-21(9-11-22)12-13-23)29(27,28)15-17(14-18(24)25)16-6-4-3-5-7-16/h3-7,17,23H,8-15H2,1-2H3,(H,24,25)