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

Systemtic Name: [1-cycloheptyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methyl nitrate Openeye Name: [1-cycloheptyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methyl nitrate CAS Name: nitric acid [1-cycloheptyl-5-(4-methylsulfonylphenyl)-3-pyrazolyl]methyl ester IUPAC Name: [1-cycloheptyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methyl nitrate Traditional Name: nitric acid [1-cycloheptyl-5-(4-mesylphenyl)pyrazol-3-yl]methyl ester Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3CCCCCC3)CO[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3CCCCCC3)CO[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O5S/c1-27(24,25)17-10-8-14(9-11-17)18-12-15(13-26-21(22)23)19-20(18)16-6-4-2-3-5-7-16/h8-12,16H,2-7,13H2,1H3