2-[(5-oxidanylpyridin-1-ium-3-yl)carbonylamino]ethanesulfonate

Systemtic Name: 2-[(5-oxidanylpyridin-1-ium-3-yl)carbonylamino]ethanesulfonate Openeye Name: 2-[(5-hydroxypyridin-1-ium-3-carbonyl)amino]ethanesulfonate CAS Name: 2-[[(5-hydroxy-3-pyridin-1-iumyl)-oxomethyl]amino]ethanesulfonate IUPAC Name: 2-[(5-hydroxypyridin-1-ium-3-carbonyl)amino]ethanesulfonate Traditional Name: 2-[(5-hydroxypyridin-1-ium-3-carbonyl)amino]ethanesulfonate Formula: C8H10N2O5S MolecularWeight: 246.2404

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=[NH+]C=C1O)C(=O)NCCS(=O)(=O)[O-]

Isomeric SMILES

C1=C(C=[NH+]C=C1O)C(=O)NCCS(=O)(=O)[O-]

InChI

InChI=1S/C8H10N2O5S/c11-7-3-6(4-9-5-7)8(12)10-1-2-16(13,14)15/h3-5,11H,1-2H2,(H,10,12)(H,13,14,15)