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

Systemtic Name: 2-[[1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methoxy]ethyl nitrate Openeye Name: 2-[[1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methoxy]ethyl nitrate CAS Name: nitric acid 2-[[1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)-3-pyrazolyl]methoxy]ethyl ester IUPAC Name: 2-[[1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methoxy]ethyl nitrate Traditional Name: nitric acid 2-[[1-(cyclohexylmethyl)-5-(4-mesylphenyl)pyrazol-3-yl]methoxy]ethyl ester Formula: C20H27N3O6S MolecularWeight: 437.50988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O6S/c1-30(26,27)19-9-7-17(8-10-19)20-13-18(15-28-11-12-29-23(24)25)21-22(20)14-16-5-3-2-4-6-16/h7-10,13,16H,2-6,11-12,14-15H2,1H3