4-[3-[bis(fluoranyl)methyl]-5-(4-nitrophenyl)pyrazol-1-yl]benzenesulfonamide

Systemtic Name: 4-[3-[bis(fluoranyl)methyl]-5-(4-nitrophenyl)pyrazol-1-yl]benzenesulfonamide Openeye Name: 4-[3-(difluoromethyl)-5-(4-nitrophenyl)pyrazol-1-yl]benzenesulfonamide CAS Name: 4-[3-(difluoromethyl)-5-(4-nitrophenyl)-1-pyrazolyl]benzenesulfonamide IUPAC Name: 4-[3-(difluoromethyl)-5-(4-nitrophenyl)pyrazol-1-yl]benzenesulfonamide Traditional Name: 4-[3-(difluoromethyl)-5-(4-nitrophenyl)pyrazol-1-yl]benzenesulfonamide Formula: C16H12F2N4O4S MolecularWeight: 394.352686

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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)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H12F2N4O4S/c17-16(18)14-9-15(10-1-3-12(4-2-10)22(23)24)21(20-14)11-5-7-13(8-6-11)27(19,25)26/h1-9,16H,(H2,19,25,26)