2-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]ethyl nitrate

Systemtic Name: 2-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]ethyl nitrate Openeye Name: 2-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]ethyl nitrate CAS Name: nitric acid 2-[1-cyclohexyl-5-(4-methylsulfonylphenyl)-3-pyrazolyl]ethyl ester IUPAC Name: 2-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]ethyl nitrate Traditional Name: nitric acid 2-[1-cyclohexyl-5-(4-mesylphenyl)pyrazol-3-yl]ethyl 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(=NN2C3CCCCC3)CCO[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3CCCCC3)CCO[N+](=O)[O-]

InChI

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