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

Systemtic Name: 3-[1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]propyl nitrate Openeye Name: 3-[1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]propyl nitrate CAS Name: nitric acid 3-[1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)-3-pyrazolyl]propyl ester IUPAC Name: 3-[1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]propyl nitrate Traditional Name: nitric acid 3-[1-(cyclohexylmethyl)-5-(4-mesylphenyl)pyrazol-3-yl]propyl ester Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O5S/c1-29(26,27)19-11-9-17(10-12-19)20-14-18(8-5-13-28-23(24)25)21-22(20)15-16-6-3-2-4-7-16/h9-12,14,16H,2-8,13,15H2,1H3