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

Systemtic Name: [2-[(E)-2-(4-dimethylaminophenyl)ethenyl]-4-methyl-6-oxidanylidene-pyridin-1-yl] benzenesulfonate Openeye Name: [2-[(E)-2-(4-dimethylaminophenyl)vinyl]-4-methyl-6-oxo-1-pyridyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-[(E)-2-(4-dimethylaminophenyl)ethenyl]-4-methyl-6-oxo-1-pyridinyl] ester IUPAC Name: [2-[(E)-2-(4-dimethylaminophenyl)ethenyl]-4-methyl-6-oxopyridin-1-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-[(E)-2-(4-dimethylaminophenyl)vinyl]-6-keto-4-methyl-1-pyridyl] ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4S/c1-17-15-20(14-11-18-9-12-19(13-10-18)23(2)3)24(22(25)16-17)28-29(26,27)21-7-5-4-6-8-21/h4-16H,1-3H3/b14-11+