4-[5-[bis(fluoranyl)methyl]-4-(4-nitrophenyl)-2-phenyl-pyrazol-3-yl]benzenesulfonamide

Systemtic Name: 4-[5-[bis(fluoranyl)methyl]-4-(4-nitrophenyl)-2-phenyl-pyrazol-3-yl]benzenesulfonamide Openeye Name: 4-[5-(difluoromethyl)-4-(4-nitrophenyl)-2-phenyl-pyrazol-3-yl]benzenesulfonamide CAS Name: 4-[5-(difluoromethyl)-4-(4-nitrophenyl)-2-phenyl-3-pyrazolyl]benzenesulfonamide IUPAC Name: 4-[5-(difluoromethyl)-4-(4-nitrophenyl)-2-phenylpyrazol-3-yl]benzenesulfonamide Traditional Name: 4-[5-(difluoromethyl)-4-(4-nitrophenyl)-2-phenyl-pyrazol-3-yl]benzenesulfonamide Formula: C22H16F2N4O4S MolecularWeight: 470.448646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C(=N2)C(F)F)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C(=N2)C(F)F)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C22H16F2N4O4S/c23-22(24)20-19(14-6-10-17(11-7-14)28(29)30)21(27(26-20)16-4-2-1-3-5-16)15-8-12-18(13-9-15)33(25,31)32/h1-13,22H,(H2,25,31,32)