4-(4-chlorophenyl)-2-(cyanomethyl)-5-(4-sulfamoylphenyl)pyrazole-3-carboxylate

Systemtic Name: 4-(4-chlorophenyl)-2-(cyanomethyl)-5-(4-sulfamoylphenyl)pyrazole-3-carboxylate Openeye Name: 4-(4-chlorophenyl)-2-(cyanomethyl)-5-(4-sulfamoylphenyl)pyrazole-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-(cyanomethyl)-5-(4-sulfamoylphenyl)-3-pyrazolecarboxylate IUPAC Name: 4-(4-chlorophenyl)-2-(cyanomethyl)-5-(4-sulfamoylphenyl)pyrazole-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-(cyanomethyl)-5-(4-sulfamoylphenyl)pyrazole-3-carboxylate Formula: C18H12ClN4O4S- MolecularWeight: 415.83028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C(=C2C3=CC=C(C=C3)Cl)C(=O)[O-])CC#N)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1C2=NN(C(=C2C3=CC=C(C=C3)Cl)C(=O)[O-])CC#N)S(=O)(=O)N

InChI

InChI=1S/C18H13ClN4O4S/c19-13-5-1-11(2-6-13)15-16(22-23(10-9-20)17(15)18(24)25)12-3-7-14(8-4-12)28(21,26)27/h1-8H,10H2,(H,24,25)(H2,21,26,27)/p-1