methyl 5-(4-morpholin-4-ylphenyl)-2-(2-nitro-4-sulfamoyl-phenyl)pyrazole-3-carboxylate

Systemtic Name: methyl 5-(4-morpholin-4-ylphenyl)-2-(2-nitro-4-sulfamoyl-phenyl)pyrazole-3-carboxylate Openeye Name: methyl 5-(4-morpholinophenyl)-2-(2-nitro-4-sulfamoyl-phenyl)pyrazole-3-carboxylate CAS Name: 5-[4-(4-morpholinyl)phenyl]-2-(2-nitro-4-sulfamoylphenyl)-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-(4-morpholin-4-ylphenyl)-2-(2-nitro-4-sulfamoylphenyl)pyrazole-3-carboxylate Traditional Name: 5-(4-morpholinophenyl)-2-(2-nitro-4-sulfamoyl-phenyl)pyrazole-3-carboxylic acid methyl ester Formula: C21H21N5O7S MolecularWeight: 487.48574

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=NN1C2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])C3=CC=C(C=C3)N4CCOCC4

Isomeric SMILES

COC(=O)C1=CC(=NN1C2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])C3=CC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C21H21N5O7S/c1-32-21(27)20-13-17(14-2-4-15(5-3-14)24-8-10-33-11-9-24)23-25(20)18-7-6-16(34(22,30)31)12-19(18)26(28)29/h2-7,12-13H,8-11H2,1H3,(H2,22,30,31)