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

Systemtic Name: 2-[[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methoxy]ethyl nitrate Openeye Name: 2-[[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methoxy]ethyl nitrate CAS Name: nitric acid 2-[[1-cyclohexyl-5-(4-methylsulfonylphenyl)-3-pyrazolyl]methoxy]ethyl ester IUPAC Name: 2-[[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methoxy]ethyl nitrate Traditional Name: nitric acid 2-[[1-cyclohexyl-5-(4-mesylphenyl)pyrazol-3-yl]methoxy]ethyl ester Formula: C19H25N3O6S MolecularWeight: 423.4833

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O6S/c1-29(25,26)18-9-7-15(8-10-18)19-13-16(14-27-11-12-28-22(23)24)20-21(19)17-5-3-2-4-6-17/h7-10,13,17H,2-6,11-12,14H2,1H3