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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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