[5-(4-methylsulfonylphenyl)-1-(oxan-4-yl)pyrazol-3-yl]methyl nitrate

Systemtic Name: [5-(4-methylsulfonylphenyl)-1-(oxan-4-yl)pyrazol-3-yl]methyl nitrate Openeye Name: [5-(4-methylsulfonylphenyl)-1-tetrahydropyran-4-yl-pyrazol-3-yl]methyl nitrate CAS Name: nitric acid [5-(4-methylsulfonylphenyl)-1-(4-oxanyl)-3-pyrazolyl]methyl ester IUPAC Name: [5-(4-methylsulfonylphenyl)-1-(oxan-4-yl)pyrazol-3-yl]methyl nitrate Traditional Name: nitric acid [5-(4-mesylphenyl)-1-tetrahydropyran-4-yl-pyrazol-3-yl]methyl ester Formula: C16H19N3O6S MolecularWeight: 381.40356

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3CCOCC3)CO[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3CCOCC3)CO[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O6S/c1-26(22,23)15-4-2-12(3-5-15)16-10-13(11-25-19(20)21)17-18(16)14-6-8-24-9-7-14/h2-5,10,14H,6-9,11H2,1H3