N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-fluoranyl-2-nitro-benzenesulfonamide

Systemtic Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-fluoranyl-2-nitro-benzenesulfonamide Openeye Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-fluoro-2-nitro-benzenesulfonamide CAS Name: N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-4-fluoro-2-nitrobenzenesulfonamide IUPAC Name: N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-fluoro-2-nitrobenzenesulfonamide Traditional Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-fluoro-2-nitro-benzenesulfonamide Formula: C17H15FN4O4S MolecularWeight: 390.388803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NS(=O)(=O)C3=C(C=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NS(=O)(=O)C3=C(C=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C17H15FN4O4S/c1-11-17(12(2)21(19-11)14-6-4-3-5-7-14)20-27(25,26)16-9-8-13(18)10-15(16)22(23)24/h3-10,20H,1-2H3