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

Systemtic Name: [2-[[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl] nitrate Openeye Name: [2-[[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]amino]-2-oxo-ethyl] nitrate CAS Name: nitric acid [2-[[1-cyclohexyl-5-(4-methylsulfonylphenyl)-3-pyrazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] nitrate Traditional Name: nitric acid [2-[[1-cyclohexyl-5-(4-mesylphenyl)pyrazol-3-yl]amino]-2-keto-ethyl] ester Formula: C18H22N4O6S MolecularWeight: 422.45548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O6S/c1-29(26,27)15-9-7-13(8-10-15)16-11-17(19-18(23)12-28-22(24)25)20-21(16)14-5-3-2-4-6-14/h7-11,14H,2-6,12H2,1H3,(H,19,20,23)