[2-(cyclopentylmethyl)-6-(3-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-pyridazin-4-yl]methyl methanesulfonate

Systemtic Name: [2-(cyclopentylmethyl)-6-(3-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-pyridazin-4-yl]methyl methanesulfonate Openeye Name: [2-(cyclopentylmethyl)-6-(3-fluoro-4-methoxy-phenyl)-3-oxo-pyridazin-4-yl]methyl methanesulfonate CAS Name: methanesulfonic acid [2-(cyclopentylmethyl)-6-(3-fluoro-4-methoxyphenyl)-3-oxo-4-pyridazinyl]methyl ester IUPAC Name: [2-(cyclopentylmethyl)-6-(3-fluoro-4-methoxyphenyl)-3-oxopyridazin-4-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [2-(cyclopentylmethyl)-6-(3-fluoro-4-methoxy-phenyl)-3-keto-pyridazin-4-yl]methyl ester Formula: C19H23FN2O5S MolecularWeight: 410.459723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C(=C2)COS(=O)(=O)C)CC3CCCC3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C(=C2)COS(=O)(=O)C)CC3CCCC3)F

InChI

InChI=1S/C19H23FN2O5S/c1-26-18-8-7-14(9-16(18)20)17-10-15(12-27-28(2,24)25)19(23)22(21-17)11-13-5-3-4-6-13/h7-10,13H,3-6,11-12H2,1-2H3