sodium (1Z)-2,4-dimethyl-N-[(E)-2-pyridin-3-ylethenyl]sulfonyl-benzenecarboximidate

Systemtic Name: sodium (1Z)-2,4-dimethyl-N-[(E)-2-pyridin-3-ylethenyl]sulfonyl-benzenecarboximidate Openeye Name: sodium (1Z)-2,4-dimethyl-N-[(E)-2-(3-pyridyl)vinyl]sulfonyl-benzenecarboximidate CAS Name: sodium (1Z)-2,4-dimethyl-N-[(E)-2-(3-pyridinyl)ethenyl]sulfonylbenzenecarboximidate IUPAC Name: sodium (1Z)-2,4-dimethyl-N-[(E)-2-pyridin-3-ylethenyl]sulfonylbenzenecarboximidate Traditional Name: sodium (1Z)-2,4-dimethyl-N-[(E)-2-(3-pyridyl)vinyl]sulfonyl-benzenecarboximidate Formula: C16H15N2NaO3S MolecularWeight: 338.35667

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=NS(=O)(=O)C=CC2=CN=CC=C2)[O-])C.[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1)/C(=N/S(=O)(=O)/C=C/C2=CN=CC=C2)/[O-])C.[Na+]

InChI

InChI=1S/C16H16N2O3S.Na/c1-12-5-6-15(13(2)10-12)16(19)18-22(20,21)9-7-14-4-3-8-17-11-14;/h3-11H,1-2H3,(H,18,19);/q;+1/p-1/b9-7+;