[3-[[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methoxy]phenyl]methyl nitrate

Systemtic Name: [3-[[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methoxy]phenyl]methyl nitrate Openeye Name: [3-[[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methoxy]phenyl]methyl nitrate CAS Name: nitric acid [3-[[1-cyclohexyl-5-(4-methylsulfonylphenyl)-3-pyrazolyl]methoxy]phenyl]methyl ester IUPAC Name: [3-[[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methoxy]phenyl]methyl nitrate Traditional Name: nitric acid [3-[[1-cyclohexyl-5-(4-mesylphenyl)pyrazol-3-yl]methoxy]benzyl] ester Formula: C24H27N3O6S MolecularWeight: 485.55268

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3CCCCC3)COC4=CC=CC(=C4)CO[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3CCCCC3)COC4=CC=CC(=C4)CO[N+](=O)[O-]

InChI

InChI=1S/C24H27N3O6S/c1-34(30,31)23-12-10-19(11-13-23)24-15-20(25-26(24)21-7-3-2-4-8-21)17-32-22-9-5-6-18(14-22)16-33-27(28)29/h5-6,9-15,21H,2-4,7-8,16-17H2,1H3