[2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methyl-6-oxidanylidene-pyridin-1-yl] benzenesulfonate

Systemtic Name: [2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methyl-6-oxidanylidene-pyridin-1-yl] benzenesulfonate Openeye Name: [2-[(E)-2-(4-methoxyphenyl)vinyl]-4-methyl-6-oxo-1-pyridyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methyl-6-oxo-1-pyridinyl] ester IUPAC Name: [2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methyl-6-oxopyridin-1-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-keto-6-[(E)-2-(4-methoxyphenyl)vinyl]-4-methyl-1-pyridyl] ester Formula: C21H19NO5S MolecularWeight: 397.44426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=C1)C=CC2=CC=C(C=C2)OC)OS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)N(C(=C1)/C=C/C2=CC=C(C=C2)OC)OS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H19NO5S/c1-16-14-18(11-8-17-9-12-19(26-2)13-10-17)22(21(23)15-16)27-28(24,25)20-6-4-3-5-7-20/h3-15H,1-2H3/b11-8+