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

Systemtic Name: 2-(2-ethylsulfonyl-1-pyridin-4-yl-ethyl)pentanedioic acid Openeye Name: 2-[2-ethylsulfonyl-1-(4-pyridyl)ethyl]pentanedioic acid CAS Name: 2-(2-ethylsulfonyl-1-pyridin-4-ylethyl)pentanedioic acid IUPAC Name: 2-(2-ethylsulfonyl-1-pyridin-4-ylethyl)pentanedioic acid Traditional Name: 2-[2-esyl-1-(4-pyridyl)ethyl]glutaric acid Formula: C14H19NO6S MolecularWeight: 329.36876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO6S/c1-2-22(20,21)9-12(10-5-7-15-8-6-10)11(14(18)19)3-4-13(16)17/h5-8,11-12H,2-4,9H2,1H3,(H,16,17)(H,18,19)