2-(4,6-dimethoxy-1-pyridin-2-ylsulfonyl-pyrimidin-1-ium-2-yl)sulfanyl-3-methoxy-3-methyl-butanoic acid

Systemtic Name: 2-(4,6-dimethoxy-1-pyridin-2-ylsulfonyl-pyrimidin-1-ium-2-yl)sulfanyl-3-methoxy-3-methyl-butanoic acid Openeye Name: 2-[4,6-dimethoxy-1-(2-pyridylsulfonyl)pyrimidin-1-ium-2-yl]sulfanyl-3-methoxy-3-methyl-butanoic acid CAS Name: 2-[[4,6-dimethoxy-1-(2-pyridinylsulfonyl)-2-pyrimidin-1-iumyl]thio]-3-methoxy-3-methylbutanoic acid IUPAC Name: 2-(4,6-dimethoxy-1-pyridin-2-ylsulfonylpyrimidin-1-ium-2-yl)sulfanyl-3-methoxy-3-methylbutanoic acid Traditional Name: 2-[[4,6-dimethoxy-1-(2-pyridylsulfonyl)pyrimidin-1-ium-2-yl]thio]-3-methoxy-3-methyl-butyric acid Formula: C17H22N3O7S2+ MolecularWeight: 444.50248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)O)SC1=NC(=CC(=[N+]1S(=O)(=O)C2=CC=CC=N2)OC)OC)OC

Isomeric SMILES

CC(C)(C(C(=O)O)SC1=NC(=CC(=[N+]1S(=O)(=O)C2=CC=CC=N2)OC)OC)OC

InChI

InChI=1S/C17H21N3O7S2/c1-17(2,27-5)14(15(21)22)28-16-19-11(25-3)10-13(26-4)20(16)29(23,24)12-8-6-7-9-18-12/h6-10,14H,1-5H3/p+1