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

Systemtic Name: 2-(2-butylsulfonyl-1-pyridin-4-yl-ethyl)pentanedioic acid Openeye Name: 2-[2-butylsulfonyl-1-(4-pyridyl)ethyl]pentanedioic acid CAS Name: 2-(2-butylsulfonyl-1-pyridin-4-ylethyl)pentanedioic acid IUPAC Name: 2-(2-butylsulfonyl-1-pyridin-4-ylethyl)pentanedioic acid Traditional Name: 2-[2-butylsulfonyl-1-(4-pyridyl)ethyl]glutaric acid Formula: C16H23NO6S MolecularWeight: 357.42192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO6S/c1-2-3-10-24(22,23)11-14(12-6-8-17-9-7-12)13(16(20)21)4-5-15(18)19/h6-9,13-14H,2-5,10-11H2,1H3,(H,18,19)(H,20,21)