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

Systemtic Name: 3-[[1-(4-hydroxyphenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methoxy]propyl nitrate Openeye Name: 3-[[1-(4-hydroxyphenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methoxy]propyl nitrate CAS Name: nitric acid 3-[[1-(4-hydroxyphenyl)-5-(4-methylsulfonylphenyl)-3-pyrazolyl]methoxy]propyl ester IUPAC Name: 3-[[1-(4-hydroxyphenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methoxy]propyl nitrate Traditional Name: nitric acid 3-[[1-(4-hydroxyphenyl)-5-(4-mesylphenyl)pyrazol-3-yl]methoxy]propyl ester Formula: C20H21N3O7S MolecularWeight: 447.46164

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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)O)COCCCO[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O7S/c1-31(27,28)19-9-3-15(4-10-19)20-13-16(14-29-11-2-12-30-23(25)26)21-22(20)17-5-7-18(24)8-6-17/h3-10,13,24H,2,11-12,14H2,1H3