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

Systemtic Name: 4-[2-methyl-1-oxidanylidene-1-(2-piperidin-1-ylethoxy)propan-2-yl]sulfonyl-3-phenyl-butanoic acid Openeye Name: 4-[1,1-dimethyl-2-oxo-2-[2-(1-piperidyl)ethoxy]ethyl]sulfonyl-3-phenyl-butanoic acid CAS Name: 4-[2-methyl-1-oxo-1-[2-(1-piperidinyl)ethoxy]propan-2-yl]sulfonyl-3-phenylbutanoic acid IUPAC Name: 4-[2-methyl-1-oxo-1-(2-piperidin-1-ylethoxy)propan-2-yl]sulfonyl-3-phenylbutanoic acid Traditional Name: 4-[2-keto-1,1-dimethyl-2-(2-piperidinoethoxy)ethyl]sulfonyl-3-phenyl-butyric acid Formula: C21H31NO6S MolecularWeight: 425.53894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OCCN1CCCCC1)S(=O)(=O)CC(CC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C(=O)OCCN1CCCCC1)S(=O)(=O)CC(CC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C21H31NO6S/c1-21(2,20(25)28-14-13-22-11-7-4-8-12-22)29(26,27)16-18(15-19(23)24)17-9-5-3-6-10-17/h3,5-6,9-10,18H,4,7-8,11-16H2,1-2H3,(H,23,24)