pentyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate

Systemtic Name: pentyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate Openeye Name: pentyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate CAS Name: 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)-3-pyrazolecarboxylic acid pentyl ester IUPAC Name: pentyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate Traditional Name: 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid amyl ester Formula: C21H22ClN3O4S MolecularWeight: 447.93508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CCCCCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C21H22ClN3O4S/c1-2-3-4-13-29-21(26)19-14-20(15-5-7-16(22)8-6-15)25(24-19)17-9-11-18(12-10-17)30(23,27)28/h5-12,14H,2-4,13H2,1H3,(H2,23,27,28)