2-(tert-butylsulfonylmethyl)-3-pyridin-4-yl-propanoic acid

Systemtic Name: 2-(tert-butylsulfonylmethyl)-3-pyridin-4-yl-propanoic acid Openeye Name: 2-(tert-butylsulfonylmethyl)-3-(4-pyridyl)propanoic acid CAS Name: 2-(tert-butylsulfonylmethyl)-3-pyridin-4-ylpropanoic acid IUPAC Name: 2-(tert-butylsulfonylmethyl)-3-pyridin-4-ylpropanoic acid Traditional Name: 2-(tert-butylsulfonylmethyl)-3-(4-pyridyl)propionic acid Formula: C13H19NO4S MolecularWeight: 285.35926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)CC(CC1=CC=NC=C1)C(=O)O

Isomeric SMILES

CC(C)(C)S(=O)(=O)CC(CC1=CC=NC=C1)C(=O)O

InChI

InChI=1S/C13H19NO4S/c1-13(2,3)19(17,18)9-11(12(15)16)8-10-4-6-14-7-5-10/h4-7,11H,8-9H2,1-3H3,(H,15,16)