2-(4-methylsulfonylphenyl)-2-piperidin-1-yl-propanoic acid

Systemtic Name: 2-(4-methylsulfonylphenyl)-2-piperidin-1-yl-propanoic acid Openeye Name: 2-(4-methylsulfonylphenyl)-2-(1-piperidyl)propanoic acid CAS Name: 2-(4-methylsulfonylphenyl)-2-(1-piperidinyl)propanoic acid IUPAC Name: 2-(4-methylsulfonylphenyl)-2-piperidin-1-ylpropanoic acid Traditional Name: 2-(4-mesylphenyl)-2-piperidino-propionic acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C)(C(=O)O)N2CCCCC2

Isomeric SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)C)(C(=O)O)N2CCCCC2

InChI

InChI=1S/C15H21NO4S/c1-15(14(17)18,16-10-4-3-5-11-16)12-6-8-13(9-7-12)21(2,19)20/h6-9H,3-5,10-11H2,1-2H3,(H,17,18)