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

Systemtic Name: [2-(cyclopropylmethyl)-6-(4-methylsulfonylphenyl)-3-oxidanylidene-pyridazin-4-yl]methyl methanesulfonate Openeye Name: [2-(cyclopropylmethyl)-6-(4-methylsulfonylphenyl)-3-oxo-pyridazin-4-yl]methyl methanesulfonate CAS Name: methanesulfonic acid [2-(cyclopropylmethyl)-6-(4-methylsulfonylphenyl)-3-oxo-4-pyridazinyl]methyl ester IUPAC Name: [2-(cyclopropylmethyl)-6-(4-methylsulfonylphenyl)-3-oxopyridazin-4-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [2-(cyclopropylmethyl)-3-keto-6-(4-mesylphenyl)pyridazin-4-yl]methyl ester Formula: C17H20N2O6S2 MolecularWeight: 412.4805

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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)CC3CC3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NN(C(=O)C(=C2)COS(=O)(=O)C)CC3CC3

InChI

InChI=1S/C17H20N2O6S2/c1-26(21,22)15-7-5-13(6-8-15)16-9-14(11-25-27(2,23)24)17(20)19(18-16)10-12-3-4-12/h5-9,12H,3-4,10-11H2,1-2H3