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

Systemtic Name: sodium (2-bromanyl-4-fluoranyl-phenyl)carbonyl-[(E)-2-(6-methylpyridin-2-yl)ethenyl]sulfonyl-azanide Openeye Name: sodium (2-bromo-4-fluoro-benzoyl)-[(E)-2-(6-methyl-2-pyridyl)vinyl]sulfonyl-azanide CAS Name: sodium [(2-bromo-4-fluorophenyl)-oxomethyl]-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]sulfonylazanide IUPAC Name: sodium (2-bromo-4-fluorobenzoyl)-[(E)-2-(6-methylpyridin-2-yl)ethenyl]sulfonylazanide Traditional Name: sodium (2-bromo-4-fluoro-benzoyl)-[(E)-2-(6-methyl-2-pyridyl)vinyl]sulfonyl-azanide Formula: C15H11BrFN2NaO3S MolecularWeight: 421.216613

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=N1)C=CS(=O)(=O)[N-]C(=O)C2=C(C=C(C=C2)F)Br.[Na+]

Isomeric SMILES

CC1=CC=CC(=N1)/C=C/S(=O)(=O)[N-]C(=O)C2=C(C=C(C=C2)F)Br.[Na+]

InChI

InChI=1S/C15H12BrFN2O3S.Na/c1-10-3-2-4-12(18-10)7-8-23(21,22)19-15(20)13-6-5-11(17)9-14(13)16;/h2-9H,1H3,(H,19,20);/q;+1/p-1/b8-7+;