[3-(2-methoxy-2-oxidanylidene-ethyl)-2-oxidanylidene-3-pyridin-3-yl-pyrrolidin-1-yl]methanesulfonic acid

Systemtic Name: [3-(2-methoxy-2-oxidanylidene-ethyl)-2-oxidanylidene-3-pyridin-3-yl-pyrrolidin-1-yl]methanesulfonic acid Openeye Name: [3-(2-methoxy-2-oxo-ethyl)-2-oxo-3-(3-pyridyl)pyrrolidin-1-yl]methanesulfonic acid CAS Name: [3-(2-methoxy-2-oxoethyl)-2-oxo-3-(3-pyridinyl)-1-pyrrolidinyl]methanesulfonic acid IUPAC Name: [3-(2-methoxy-2-oxoethyl)-2-oxo-3-pyridin-3-ylpyrrolidin-1-yl]methanesulfonic acid Traditional Name: [2-keto-3-(2-keto-2-methoxy-ethyl)-3-(3-pyridyl)pyrrolidino]methanesulfonic acid Formula: C13H16N2O6S MolecularWeight: 328.34094

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1(CCN(C1=O)CS(=O)(=O)O)C2=CN=CC=C2

Isomeric SMILES

COC(=O)CC1(CCN(C1=O)CS(=O)(=O)O)C2=CN=CC=C2

InChI

InChI=1S/C13H16N2O6S/c1-21-11(16)7-13(10-3-2-5-14-8-10)4-6-15(12(13)17)9-22(18,19)20/h2-3,5,8H,4,6-7,9H2,1H3,(H,18,19,20)