4-[2-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide

Systemtic Name: 4-[2-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide Openeye Name: 4-[2-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide CAS Name: 4-[2-(4-sulfamoylphenyl)-5-(trifluoromethyl)-3-pyrazolyl]benzenesulfonamide IUPAC Name: 4-[2-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide Traditional Name: 4-[2-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide Formula: C16H13F3N4O4S2 MolecularWeight: 446.42403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)S(=O)(=O)N

InChI

InChI=1S/C16H13F3N4O4S2/c17-16(18,19)15-9-14(10-1-5-12(6-2-10)28(20,24)25)23(22-15)11-3-7-13(8-4-11)29(21,26)27/h1-9H,(H2,20,24,25)(H2,21,26,27)