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

Systemtic Name: ethyl 5-(4-morpholin-4-ylphenyl)-2-(2-nitro-4-sulfamoyl-phenyl)pyrazole-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H23N5O7S MolecularWeight: 501.51232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=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/C22H23N5O7S/c1-2-34-22(28)21-14-18(15-3-5-16(6-4-15)25-9-11-33-12-10-25)24-26(21)19-8-7-17(35(23,31)32)13-20(19)27(29)30/h3-8,13-14H,2,9-12H2,1H3,(H2,23,31,32)