[4-[(E)-[2-(3-methoxyphenyl)ethanoylhydrazinylidene]methyl]pyridin-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(E)-[2-(3-methoxyphenyl)ethanoylhydrazinylidene]methyl]pyridin-3-yl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-[[2-(3-methoxyphenyl)acetyl]hydrazono]methyl]-3-pyridyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-[[2-(3-methoxyphenyl)-1-oxoethyl]hydrazinylidene]methyl]-3-pyridinyl] ester IUPAC Name: [4-[(E)-[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]pyridin-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-[[2-(3-methoxyphenyl)acetyl]hydrazono]methyl]-3-pyridyl] ester Formula: C22H21N3O5S MolecularWeight: 439.48424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CN=C2)C=NNC(=O)CC3=CC(=CC=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CN=C2)/C=N/NC(=O)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C22H21N3O5S/c1-16-6-8-20(9-7-16)31(27,28)30-21-15-23-11-10-18(21)14-24-25-22(26)13-17-4-3-5-19(12-17)29-2/h3-12,14-15H,13H2,1-2H3,(H,25,26)/b24-14+