sodium (1Z)-N-[(E)-2-(6-methoxypyridin-3-yl)ethenyl]sulfonyl-2,4-bis(trifluoromethyl)benzenecarboximidate

Systemtic Name: sodium (1Z)-N-[(E)-2-(6-methoxypyridin-3-yl)ethenyl]sulfonyl-2,4-bis(trifluoromethyl)benzenecarboximidate Openeye Name: sodium (1Z)-N-[(E)-2-(6-methoxy-3-pyridyl)vinyl]sulfonyl-2,4-bis(trifluoromethyl)benzenecarboximidate CAS Name: sodium (1Z)-N-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]sulfonyl-2,4-bis(trifluoromethyl)benzenecarboximidate IUPAC Name: sodium (1Z)-N-[(E)-2-(6-methoxypyridin-3-yl)ethenyl]sulfonyl-2,4-bis(trifluoromethyl)benzenecarboximidate Traditional Name: sodium (1Z)-N-[(E)-2-(6-methoxy-3-pyridyl)vinyl]sulfonyl-2,4-bis(trifluoromethyl)benzenecarboximidate Formula: C17H11F6N2NaO4S MolecularWeight: 476.325429

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12F6N2O4S.Na/c1-29-14-5-2-10(9-24-14)6-7-30(27,28)25-15(26)12-4-3-11(16(18,19)20)8-13(12)17(21,22)23;/h2-9H,1H3,(H,25,26);/q;+1/p-1/b7-6+;