2-[5-(4-methylsulfonylphenyl)-4-(phenylmethyl)pyrazol-1-yl]ethyl nitrate

Systemtic Name: 2-[5-(4-methylsulfonylphenyl)-4-(phenylmethyl)pyrazol-1-yl]ethyl nitrate Openeye Name: 2-[4-benzyl-5-(4-methylsulfonylphenyl)pyrazol-1-yl]ethyl nitrate CAS Name: nitric acid 2-[5-(4-methylsulfonylphenyl)-4-(phenylmethyl)-1-pyrazolyl]ethyl ester IUPAC Name: 2-[4-benzyl-5-(4-methylsulfonylphenyl)pyrazol-1-yl]ethyl nitrate Traditional Name: nitric acid 2-[4-benzyl-5-(4-mesylphenyl)pyrazol-1-yl]ethyl ester Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C=NN2CCO[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C=NN2CCO[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C19H19N3O5S/c1-28(25,26)18-9-7-16(8-10-18)19-17(13-15-5-3-2-4-6-15)14-20-21(19)11-12-27-22(23)24/h2-10,14H,11-13H2,1H3