2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-sulfamoylphenyl)ethanamide

Systemtic Name: 2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-sulfamoylphenyl)ethanamide Openeye Name: 2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide CAS Name: 2-[5-methyl-4-nitro-3-(trifluoromethyl)-1-pyrazolyl]-N-(4-sulfamoylphenyl)acetamide IUPAC Name: 2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide Traditional Name: 2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide Formula: C13H12F3N5O5S MolecularWeight: 407.32509

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H12F3N5O5S/c1-7-11(21(23)24)12(13(14,15)16)19-20(7)6-10(22)18-8-2-4-9(5-3-8)27(17,25)26/h2-5H,6H2,1H3,(H,18,22)(H2,17,25,26)