N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-4-nitro-benzenesulfonamide Openeye Name: N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-4-nitro-benzenesulfonamide CAS Name: N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]-4-pyrazolyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-4-nitrobenzenesulfonamide Traditional Name: N-[3,5-dimethyl-1-[3-(trifluoromethyl)benzyl]pyrazol-4-yl]-4-nitro-benzenesulfonamide Formula: C19H17F3N4O4S MolecularWeight: 454.42289

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC(=CC=C2)C(F)(F)F)C)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC(=CC=C2)C(F)(F)F)C)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17F3N4O4S/c1-12-18(24-31(29,30)17-8-6-16(7-9-17)26(27)28)13(2)25(23-12)11-14-4-3-5-15(10-14)19(20,21)22/h3-10,24H,11H2,1-2H3