[4-[2-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]-4-oxidanylidene-butyl] nitrate

Systemtic Name: [4-[2-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]-4-oxidanylidene-butyl] nitrate Openeye Name: [4-[2-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]-4-oxo-butyl] nitrate CAS Name: nitric acid [4-[2-cyclohexyl-5-(4-methylsulfonylphenyl)-3-pyrazolyl]-4-oxobutyl] ester IUPAC Name: [4-[2-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]-4-oxobutyl] nitrate Traditional Name: nitric acid [4-[2-cyclohexyl-5-(4-mesylphenyl)pyrazol-3-yl]-4-keto-butyl] ester Formula: C20H25N3O6S MolecularWeight: 435.494

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=NN(C(=C2)C(=O)CCCO[N+](=O)[O-])C3CCCCC3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NN(C(=C2)C(=O)CCCO[N+](=O)[O-])C3CCCCC3

InChI

InChI=1S/C20H25N3O6S/c1-30(27,28)17-11-9-15(10-12-17)18-14-19(20(24)8-5-13-29-23(25)26)22(21-18)16-6-3-2-4-7-16/h9-12,14,16H,2-8,13H2,1H3