2-[methyl(pyridin-2-yl)amino]-1-phosphono-ethanesulfonic acid

Systemtic Name: 2-[methyl(pyridin-2-yl)amino]-1-phosphono-ethanesulfonic acid Openeye Name: 2-[methyl(2-pyridyl)amino]-1-phosphono-ethanesulfonic acid CAS Name: 2-[methyl(2-pyridinyl)amino]-1-phosphonoethanesulfonic acid IUPAC Name: 2-[methyl(pyridin-2-yl)amino]-1-phosphonoethanesulfonic acid Traditional Name: 2-[methyl(2-pyridyl)amino]-1-phosphono-ethanesulfonic acid Formula: C8H13N2O6PS MolecularWeight: 296.237381

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(P(=O)(O)O)S(=O)(=O)O)C1=CC=CC=N1

Isomeric SMILES

CN(CC(P(=O)(O)O)S(=O)(=O)O)C1=CC=CC=N1

InChI

InChI=1S/C8H13N2O6PS/c1-10(7-4-2-3-5-9-7)6-8(17(11,12)13)18(14,15)16/h2-5,8H,6H2,1H3,(H2,11,12,13)(H,14,15,16)