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

Systemtic Name: [3-[[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]amino]-3-oxidanylidene-propyl] nitrate Openeye Name: [3-[[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]amino]-3-oxo-propyl] nitrate CAS Name: nitric acid [3-[[1-cyclohexyl-5-(4-methylsulfonylphenyl)-3-pyrazolyl]amino]-3-oxopropyl] ester IUPAC Name: [3-[[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]amino]-3-oxopropyl] nitrate Traditional Name: nitric acid [3-[[1-cyclohexyl-5-(4-mesylphenyl)pyrazol-3-yl]amino]-3-keto-propyl] ester Formula: C19H24N4O6S MolecularWeight: 436.48206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O6S/c1-30(27,28)16-9-7-14(8-10-16)17-13-18(20-19(24)11-12-29-23(25)26)21-22(17)15-5-3-2-4-6-15/h7-10,13,15H,2-6,11-12H2,1H3,(H,20,21,24)