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

Systemtic Name: 3-nitro-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzenesulfonamide Openeye Name: 3-nitro-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzenesulfonamide CAS Name: 3-nitro-N-[1-[[3-(trifluoromethyl)phenyl]methyl]-4-pyrazolyl]benzenesulfonamide IUPAC Name: 3-nitro-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzenesulfonamide Traditional Name: 3-nitro-N-[1-[3-(trifluoromethyl)benzyl]pyrazol-4-yl]benzenesulfonamide Formula: C17H13F3N4O4S MolecularWeight: 426.36973

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)CN2C=C(C=N2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)CN2C=C(C=N2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13F3N4O4S/c18-17(19,20)13-4-1-3-12(7-13)10-23-11-14(9-21-23)22-29(27,28)16-6-2-5-15(8-16)24(25)26/h1-9,11,22H,10H2