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

Systemtic Name: 4-[1-(2-hydroxyethylamino)-2-methyl-1-oxidanylidene-propan-2-yl]sulfonyl-3-phenyl-butanoic acid Openeye Name: 4-[2-(2-hydroxyethylamino)-1,1-dimethyl-2-oxo-ethyl]sulfonyl-3-phenyl-butanoic acid CAS Name: 4-[1-(2-hydroxyethylamino)-2-methyl-1-oxopropan-2-yl]sulfonyl-3-phenylbutanoic acid IUPAC Name: 4-[1-(2-hydroxyethylamino)-2-methyl-1-oxopropan-2-yl]sulfonyl-3-phenylbutanoic acid Traditional Name: 4-[2-(2-hydroxyethylamino)-2-keto-1,1-dimethyl-ethyl]sulfonyl-3-phenyl-butyric acid Formula: C16H23NO6S MolecularWeight: 357.42192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NCCO)S(=O)(=O)CC(CC(=O)O)C1=CC=CC=C1

Isomeric SMILES

CC(C)(C(=O)NCCO)S(=O)(=O)CC(CC(=O)O)C1=CC=CC=C1

InChI

InChI=1S/C16H23NO6S/c1-16(2,15(21)17-8-9-18)24(22,23)11-13(10-14(19)20)12-6-4-3-5-7-12/h3-7,13,18H,8-11H2,1-2H3,(H,17,21)(H,19,20)