[6-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]-6-oxidanylidene-hexyl] nitrate

Systemtic Name: [6-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]-6-oxidanylidene-hexyl] nitrate Openeye Name: [6-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]-6-oxo-hexyl] nitrate CAS Name: nitric acid [6-[1-cyclohexyl-5-(4-methylsulfonylphenyl)-3-pyrazolyl]-6-oxohexyl] ester IUPAC Name: [6-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]-6-oxohexyl] nitrate Traditional Name: nitric acid [6-[1-cyclohexyl-5-(4-mesylphenyl)pyrazol-3-yl]-6-keto-hexyl] ester Formula: C22H29N3O6S MolecularWeight: 463.54716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O6S/c1-32(29,30)19-13-11-17(12-14-19)21-16-20(23-24(21)18-8-4-2-5-9-18)22(26)10-6-3-7-15-31-25(27)28/h11-14,16,18H,2-10,15H2,1H3