(2-ethoxy-6-pyridin-1-ium-1-yl-pyrimidin-4-yl)-(4-nitrophenyl)sulfonyl-azanide

Systemtic Name: (2-ethoxy-6-pyridin-1-ium-1-yl-pyrimidin-4-yl)-(4-nitrophenyl)sulfonyl-azanide Openeye Name: (2-ethoxy-6-pyridin-1-ium-1-yl-pyrimidin-4-yl)-(4-nitrophenyl)sulfonyl-azanide CAS Name: [2-ethoxy-6-(1-pyridin-1-iumyl)-4-pyrimidinyl]-(4-nitrophenyl)sulfonylazanide IUPAC Name: (2-ethoxy-6-pyridin-1-ium-1-ylpyrimidin-4-yl)-(4-nitrophenyl)sulfonylazanide Traditional Name: (2-ethoxy-6-pyridin-1-ium-1-yl-pyrimidin-4-yl)-nosyl-azanide Formula: C17H15N5O5S MolecularWeight: 401.3965

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=CC(=N1)[N+]2=CC=CC=C2)[N-]S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=NC(=CC(=N1)[N+]2=CC=CC=C2)[N-]S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O5S/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