2-[1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]oxyethyl nitrate

Systemtic Name: 2-[1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]oxyethyl nitrate Openeye Name: 2-[1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]oxyethyl nitrate CAS Name: nitric acid 2-[[1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)-3-pyrazolyl]oxy]ethyl ester IUPAC Name: 2-[1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]oxyethyl nitrate Traditional Name: nitric acid 2-[1-(cyclohexylmethyl)-5-(4-mesylphenyl)pyrazol-3-yl]oxyethyl 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(=NN2CC3CCCCC3)OCCO[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2CC3CCCCC3)OCCO[N+](=O)[O-]

InChI

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