sodium 1-[(6-butoxypyridin-2-yl)amino]ethanesulfonate

Systemtic Name: sodium 1-[(6-butoxypyridin-2-yl)amino]ethanesulfonate Openeye Name: sodium 1-[(6-butoxy-2-pyridyl)amino]ethanesulfonate CAS Name: sodium 1-[(6-butoxy-2-pyridinyl)amino]ethanesulfonate IUPAC Name: sodium 1-[(6-butoxypyridin-2-yl)amino]ethanesulfonate Traditional Name: sodium 1-[(6-butoxy-2-pyridyl)amino]ethanesulfonate Formula: C11H17N2NaO4S MolecularWeight: 296.31845

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=N1)NC(C)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCOC1=CC=CC(=N1)NC(C)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C11H18N2O4S.Na/c1-3-4-8-17-11-7-5-6-10(13-11)12-9(2)18(14,15)16;/h5-7,9H,3-4,8H2,1-2H3,(H,12,13)(H,14,15,16);/q;+1/p-1