2-[(4-ethoxyphenyl)-pyridin-1-ium-3-ylsulfonyl-amino]ethanoate

Systemtic Name: 2-[(4-ethoxyphenyl)-pyridin-1-ium-3-ylsulfonyl-amino]ethanoate Openeye Name: 2-(4-ethoxy-N-pyridin-1-ium-3-ylsulfonyl-anilino)acetate CAS Name: 2-[4-ethoxy-N-(3-pyridin-1-iumylsulfonyl)anilino]acetate IUPAC Name: 2-(4-ethoxy-N-pyridin-1-ium-3-ylsulfonylanilino)acetate Traditional Name: 2-(4-ethoxy-N-pyridin-1-ium-3-ylsulfonyl-anilino)acetate Formula: C15H16N2O5S MolecularWeight: 336.36294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CC(=O)[O-])S(=O)(=O)C2=C[NH+]=CC=C2

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CC(=O)[O-])S(=O)(=O)C2=C[NH+]=CC=C2

InChI

InChI=1S/C15H16N2O5S/c1-2-22-13-7-5-12(6-8-13)17(11-15(18)19)23(20,21)14-4-3-9-16-10-14/h3-10H,2,11H2,1H3,(H,18,19)