2-(2-methylsulfonyl-1-pyridin-4-yl-ethyl)pentanedioic acid

Systemtic Name: 2-(2-methylsulfonyl-1-pyridin-4-yl-ethyl)pentanedioic acid Openeye Name: 2-[2-methylsulfonyl-1-(4-pyridyl)ethyl]pentanedioic acid CAS Name: 2-(2-methylsulfonyl-1-pyridin-4-ylethyl)pentanedioic acid IUPAC Name: 2-(2-methylsulfonyl-1-pyridin-4-ylethyl)pentanedioic acid Traditional Name: 2-[2-mesyl-1-(4-pyridyl)ethyl]glutaric acid Formula: C13H17NO6S MolecularWeight: 315.34218

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC(C1=CC=NC=C1)C(CCC(=O)O)C(=O)O

Isomeric SMILES

CS(=O)(=O)CC(C1=CC=NC=C1)C(CCC(=O)O)C(=O)O

InChI

InChI=1S/C13H17NO6S/c1-21(19,20)8-11(9-4-6-14-7-5-9)10(13(17)18)2-3-12(15)16/h4-7,10-11H,2-3,8H2,1H3,(H,15,16)(H,17,18)