sodium 2-(2-pyridin-3-ylethylamino)ethanesulfonate

Systemtic Name: sodium 2-(2-pyridin-3-ylethylamino)ethanesulfonate Openeye Name: sodium 2-[2-(3-pyridyl)ethylamino]ethanesulfonate CAS Name: sodium 2-[2-(3-pyridinyl)ethylamino]ethanesulfonate IUPAC Name: sodium 2-(2-pyridin-3-ylethylamino)ethanesulfonate Traditional Name: sodium 2-[2-(3-pyridyl)ethylamino]ethanesulfonate Formula: C9H13N2NaO3S MolecularWeight: 252.26589

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H14N2O3S.Na/c12-15(13,14)7-6-10-5-3-9-2-1-4-11-8-9;/h1-2,4,8,10H,3,5-7H2,(H,12,13,14);/q;+1/p-1