sodium 2-(pyridin-3-ylcarbonylamino)ethanesulfonate

Systemtic Name: sodium 2-(pyridin-3-ylcarbonylamino)ethanesulfonate Openeye Name: sodium 2-(pyridine-3-carbonylamino)ethanesulfonate CAS Name: sodium 2-[[oxo(3-pyridinyl)methyl]amino]ethanesulfonate IUPAC Name: sodium 2-(pyridine-3-carbonylamino)ethanesulfonate Traditional Name: sodium 2-nicotinamidoethanesulfonate Formula: C8H9N2NaO4S MolecularWeight: 252.22283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)NCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CN=C1)C(=O)NCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C8H10N2O4S.Na/c11-8(7-2-1-3-9-6-7)10-4-5-15(12,13)14;/h1-3,6H,4-5H2,(H,10,11)(H,12,13,14);/q;+1/p-1