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

Systemtic Name: N-(2-methoxy-6-pyridin-1-ium-1-yl-pyrimidin-4-yl)-4-nitro-benzenesulfonamide Openeye Name: N-(2-methoxy-6-pyridin-1-ium-1-yl-pyrimidin-4-yl)-4-nitro-benzenesulfonamide CAS Name: N-[2-methoxy-6-(1-pyridin-1-iumyl)-4-pyrimidinyl]-4-nitrobenzenesulfonamide IUPAC Name: N-(2-methoxy-6-pyridin-1-ium-1-ylpyrimidin-4-yl)-4-nitrobenzenesulfonamide Traditional Name: N-(2-methoxy-6-pyridin-1-ium-1-yl-pyrimidin-4-yl)-4-nitro-benzenesulfonamide Formula: C16H14N5O5S+ MolecularWeight: 388.37786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=CC(=N1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+]3=CC=CC=C3

Isomeric SMILES

COC1=NC(=CC(=N1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+]3=CC=CC=C3

InChI

InChI=1S/C16H14N5O5S/c1-26-16-17-14(11-15(18-16)20-9-3-2-4-10-20)19-27(24,25)13-7-5-12(6-8-13)21(22)23/h2-11H,1H3,(H,17,18,19)/q+1