methyl 5-(4-sulfamoylphenyl)-3-(4-thiophen-3-ylphenyl)-1H-pyrazole-4-carboxylate

Systemtic Name: methyl 5-(4-sulfamoylphenyl)-3-(4-thiophen-3-ylphenyl)-1H-pyrazole-4-carboxylate Openeye Name: methyl 5-(4-sulfamoylphenyl)-3-[4-(3-thienyl)phenyl]-1H-pyrazole-4-carboxylate CAS Name: 5-(4-sulfamoylphenyl)-3-[4-(3-thiophenyl)phenyl]-1H-pyrazole-4-carboxylic acid methyl ester IUPAC Name: methyl 5-(4-sulfamoylphenyl)-3-(4-thiophen-3-ylphenyl)-1H-pyrazole-4-carboxylate Traditional Name: 5-(4-sulfamoylphenyl)-3-[4-(3-thienyl)phenyl]-1H-pyrazole-4-carboxylic acid methyl ester Formula: C21H17N3O4S2 MolecularWeight: 439.50738

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NN=C1C2=CC=C(C=C2)C3=CSC=C3)C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

COC(=O)C1=C(NN=C1C2=CC=C(C=C2)C3=CSC=C3)C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C21H17N3O4S2/c1-28-21(25)18-19(14-4-2-13(3-5-14)16-10-11-29-12-16)23-24-20(18)15-6-8-17(9-7-15)30(22,26)27/h2-12H,1H3,(H,23,24)(H2,22,26,27)