[5-[2-oxidanylidene-2-(pyridin-3-ylmethoxy)ethyl]-4-piperidin-1-ylcarbonyl-pyrimidin-2-yl]methanesulfonate

Systemtic Name: [5-[2-oxidanylidene-2-(pyridin-3-ylmethoxy)ethyl]-4-piperidin-1-ylcarbonyl-pyrimidin-2-yl]methanesulfonate Openeye Name: [5-[2-oxo-2-(3-pyridylmethoxy)ethyl]-4-(piperidine-1-carbonyl)pyrimidin-2-yl]methanesulfonate CAS Name: [4-[oxo(1-piperidinyl)methyl]-5-[2-oxo-2-(3-pyridinylmethoxy)ethyl]-2-pyrimidinyl]methanesulfonate IUPAC Name: [5-[2-oxo-2-(pyridin-3-ylmethoxy)ethyl]-4-(piperidine-1-carbonyl)pyrimidin-2-yl]methanesulfonate Traditional Name: [5-[2-keto-2-(3-pyridylmethoxy)ethyl]-4-(piperidine-1-carbonyl)pyrimidin-2-yl]methanesulfonate Formula: C19H21N4O6S- MolecularWeight: 433.45824

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=NC(=NC=C2CC(=O)OCC3=CN=CC=C3)CS(=O)(=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)C2=NC(=NC=C2CC(=O)OCC3=CN=CC=C3)CS(=O)(=O)[O-]

InChI

InChI=1S/C19H22N4O6S/c24-17(29-12-14-5-4-6-20-10-14)9-15-11-21-16(13-30(26,27)28)22-18(15)19(25)23-7-2-1-3-8-23/h4-6,10-11H,1-3,7-9,12-13H2,(H,26,27,28)/p-1