[2-cyclopropyl-6-(4-methylsulfonylphenyl)-3-oxidanylidene-pyridazin-4-yl]methyl methanesulfonate

Systemtic Name: [2-cyclopropyl-6-(4-methylsulfonylphenyl)-3-oxidanylidene-pyridazin-4-yl]methyl methanesulfonate Openeye Name: [2-cyclopropyl-6-(4-methylsulfonylphenyl)-3-oxo-pyridazin-4-yl]methyl methanesulfonate CAS Name: methanesulfonic acid [2-cyclopropyl-6-(4-methylsulfonylphenyl)-3-oxo-4-pyridazinyl]methyl ester IUPAC Name: [2-cyclopropyl-6-(4-methylsulfonylphenyl)-3-oxopyridazin-4-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [2-cyclopropyl-3-keto-6-(4-mesylphenyl)pyridazin-4-yl]methyl ester Formula: C16H18N2O6S2 MolecularWeight: 398.45392

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=NN(C(=O)C(=C2)COS(=O)(=O)C)C3CC3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NN(C(=O)C(=C2)COS(=O)(=O)C)C3CC3

InChI

InChI=1S/C16H18N2O6S2/c1-25(20,21)14-7-3-11(4-8-14)15-9-12(10-24-26(2,22)23)16(19)18(17-15)13-5-6-13/h3-4,7-9,13H,5-6,10H2,1-2H3