ethyl 2-[4-(4-methylphenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-(4-methylphenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]ethanoate Openeye Name: ethyl 2-[4-(p-tolyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetate CAS Name: 2-[4-(4-methylphenyl)-3-(4-sulfamoylphenyl)-1-pyrazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-methylphenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetate Traditional Name: 2-[4-(p-tolyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetic acid ethyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)CN1C=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H21N3O4S/c1-3-27-19(24)13-23-12-18(15-6-4-14(2)5-7-15)20(22-23)16-8-10-17(11-9-16)28(21,25)26/h4-12H,3,13H2,1-2H3,(H2,21,25,26)