sodium (2-bromanyl-4-fluoranyl-phenyl)carbonyl-[(E)-2-(6-methoxypyridin-3-yl)ethenyl]sulfonyl-azanide

Systemtic Name: sodium (2-bromanyl-4-fluoranyl-phenyl)carbonyl-[(E)-2-(6-methoxypyridin-3-yl)ethenyl]sulfonyl-azanide Openeye Name: sodium (2-bromo-4-fluoro-benzoyl)-[(E)-2-(6-methoxy-3-pyridyl)vinyl]sulfonyl-azanide CAS Name: sodium [(2-bromo-4-fluorophenyl)-oxomethyl]-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]sulfonylazanide IUPAC Name: sodium (2-bromo-4-fluorobenzoyl)-[(E)-2-(6-methoxypyridin-3-yl)ethenyl]sulfonylazanide Traditional Name: sodium (2-bromo-4-fluoro-benzoyl)-[(E)-2-(6-methoxy-3-pyridyl)vinyl]sulfonyl-azanide Formula: C15H11BrFN2NaO4S MolecularWeight: 437.216013

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)C=CS(=O)(=O)[N-]C(=O)C2=C(C=C(C=C2)F)Br.[Na+]

Isomeric SMILES

COC1=NC=C(C=C1)/C=C/S(=O)(=O)[N-]C(=O)C2=C(C=C(C=C2)F)Br.[Na+]

InChI

InChI=1S/C15H12BrFN2O4S.Na/c1-23-14-5-2-10(9-18-14)6-7-24(21,22)19-15(20)12-4-3-11(17)8-13(12)16;/h2-9H,1H3,(H,19,20);/q;+1/p-1/b7-6+;