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

Systemtic Name: [1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methyl nitrate Openeye Name: [1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methyl nitrate CAS Name: nitric acid [1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)-3-pyrazolyl]methyl ester IUPAC Name: [1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methyl nitrate Traditional Name: nitric acid [1-(cyclohexylmethyl)-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(=NN2CC3CCCCC3)CO[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2CC3CCCCC3)CO[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O5S/c1-27(24,25)17-9-7-15(8-10-17)18-11-16(13-26-21(22)23)19-20(18)12-14-5-3-2-4-6-14/h7-11,14H,2-6,12-13H2,1H3