3-[[5-(4-methylphenyl)-3-(4-sulfamoylphenyl)pyrazol-3-yl]methoxy]propyl nitrate

Systemtic Name: 3-[[5-(4-methylphenyl)-3-(4-sulfamoylphenyl)pyrazol-3-yl]methoxy]propyl nitrate Openeye Name: 3-[[5-(p-tolyl)-3-(4-sulfamoylphenyl)pyrazol-3-yl]methoxy]propyl nitrate CAS Name: nitric acid 3-[[5-(4-methylphenyl)-3-(4-sulfamoylphenyl)-3-pyrazolyl]methoxy]propyl ester IUPAC Name: 3-[[5-(4-methylphenyl)-3-(4-sulfamoylphenyl)pyrazol-3-yl]methoxy]propyl nitrate Traditional Name: nitric acid 3-[[5-(p-tolyl)-3-(4-sulfamoylphenyl)pyrazol-3-yl]methoxy]propyl ester Formula: C20H22N4O6S MolecularWeight: 446.47688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(N=N2)(COCCCO[N+](=O)[O-])C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(N=N2)(COCCCO[N+](=O)[O-])C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C20H22N4O6S/c1-15-3-5-16(6-4-15)19-13-20(23-22-19,14-29-11-2-12-30-24(25)26)17-7-9-18(10-8-17)31(21,27)28/h3-10,13H,2,11-12,14H2,1H3,(H2,21,27,28)