[(E)-4-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]but-3-enyl] nitrate

Systemtic Name: [(E)-4-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]but-3-enyl] nitrate Openeye Name: [(E)-4-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]but-3-enyl] nitrate CAS Name: nitric acid [(E)-4-[1-cyclohexyl-5-(4-methylsulfonylphenyl)-3-pyrazolyl]but-3-enyl] ester IUPAC Name: [(E)-4-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]but-3-enyl] nitrate Traditional Name: nitric acid [(E)-4-[1-cyclohexyl-5-(4-mesylphenyl)pyrazol-3-yl]but-3-enyl] ester Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5S/c1-29(26,27)19-12-10-16(11-13-19)20-15-17(7-5-6-14-28-23(24)25)21-22(20)18-8-3-2-4-9-18/h5,7,10-13,15,18H,2-4,6,8-9,14H2,1H3/b7-5+