N-(2-ethoxy-6-pyridin-1-ium-1-yl-pyrimidin-4-yl)-4-nitro-benzenesulfonamide

Systemtic Name: N-(2-ethoxy-6-pyridin-1-ium-1-yl-pyrimidin-4-yl)-4-nitro-benzenesulfonamide Openeye Name: N-(2-ethoxy-6-pyridin-1-ium-1-yl-pyrimidin-4-yl)-4-nitro-benzenesulfonamide CAS Name: N-[2-ethoxy-6-(1-pyridin-1-iumyl)-4-pyrimidinyl]-4-nitrobenzenesulfonamide IUPAC Name: N-(2-ethoxy-6-pyridin-1-ium-1-ylpyrimidin-4-yl)-4-nitrobenzenesulfonamide Traditional Name: N-(2-ethoxy-6-pyridin-1-ium-1-yl-pyrimidin-4-yl)-4-nitro-benzenesulfonamide Formula: C17H16N5O5S+ MolecularWeight: 402.40444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=CC(=N1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+]3=CC=CC=C3

Isomeric SMILES

CCOC1=NC(=CC(=N1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+]3=CC=CC=C3

InChI

InChI=1S/C17H16N5O5S/c1-2-27-17-18-15(12-16(19-17)21-10-4-3-5-11-21)20-28(25,26)14-8-6-13(7-9-14)22(23)24/h3-12H,2H2,1H3,(H,18,19,20)/q+1