[2-methoxy-4-[(E)-(pyridin-4-ylcarbonylhydrazinylidene)methyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [2-methoxy-4-[(E)-(pyridin-4-ylcarbonylhydrazinylidene)methyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [2-methoxy-4-[(E)-(pyridine-4-carbonylhydrazono)methyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [2-methoxy-4-[(E)-[[oxo(pyridin-4-yl)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[(E)-(isonicotinoylhydrazono)methyl]-2-methoxy-phenyl] ester Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=C(C=C(C=C2)C=NNC(=O)C3=CC=NC=C3)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)C3=CC=NC=C3)OC

InChI

InChI=1S/C22H21N3O5S/c1-15-4-5-16(2)21(12-15)31(27,28)30-19-7-6-17(13-20(19)29-3)14-24-25-22(26)18-8-10-23-11-9-18/h4-14H,1-3H3,(H,25,26)/b24-14+