ethyl 3-hexyl-2-(4-methylphenyl)sulfonyl-4,5-dihydro-3H-pyridazine-6-carboxylate

Systemtic Name: ethyl 3-hexyl-2-(4-methylphenyl)sulfonyl-4,5-dihydro-3H-pyridazine-6-carboxylate Openeye Name: ethyl 3-hexyl-2-(p-tolylsulfonyl)-4,5-dihydro-3H-pyridazine-6-carboxylate CAS Name: 3-hexyl-2-(4-methylphenyl)sulfonyl-4,5-dihydro-3H-pyridazine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-hexyl-2-(4-methylphenyl)sulfonyl-4,5-dihydro-3H-pyridazine-6-carboxylate Traditional Name: 3-hexyl-2-tosyl-4,5-dihydro-3H-pyridazine-6-carboxylic acid ethyl ester Formula: C20H30N2O4S MolecularWeight: 394.5282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(=NN1S(=O)(=O)C2=CC=C(C=C2)C)C(=O)OCC

Isomeric SMILES

CCCCCCC1CCC(=NN1S(=O)(=O)C2=CC=C(C=C2)C)C(=O)OCC

InChI

InChI=1S/C20H30N2O4S/c1-4-6-7-8-9-17-12-15-19(20(23)26-5-2)21-22(17)27(24,25)18-13-10-16(3)11-14-18/h10-11,13-14,17H,4-9,12,15H2,1-3H3