3-[[5-(4-methylsulfonylphenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methoxy]propyl nitrate

Systemtic Name: 3-[[5-(4-methylsulfonylphenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methoxy]propyl nitrate Openeye Name: 3-[[5-(4-methylsulfonylphenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methoxy]propyl nitrate CAS Name: nitric acid 3-[[5-(4-methylsulfonylphenyl)-1-[4-(trifluoromethyl)phenyl]-3-pyrazolyl]methoxy]propyl ester IUPAC Name: 3-[[5-(4-methylsulfonylphenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methoxy]propyl nitrate Traditional Name: nitric acid 3-[[5-(4-mesylphenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methoxy]propyl ester Formula: C21H20F3N3O6S MolecularWeight: 499.46021

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)C(F)(F)F)COCCCO[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)C(F)(F)F)COCCCO[N+](=O)[O-]

InChI

InChI=1S/C21H20F3N3O6S/c1-34(30,31)19-9-3-15(4-10-19)20-13-17(14-32-11-2-12-33-27(28)29)25-26(20)18-7-5-16(6-8-18)21(22,23)24/h3-10,13H,2,11-12,14H2,1H3