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

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-fluoranyl-3-nitro-benzenesulfonamide Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-fluoro-3-nitro-benzenesulfonamide CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-4-fluoro-3-nitrobenzenesulfonamide IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluoro-3-nitrobenzenesulfonamide Traditional Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-fluoro-3-nitro-benzenesulfonamide Formula: C18H17FN4O4S MolecularWeight: 404.415383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17FN4O4S/c1-12-16(13(2)22(21-12)14-6-4-3-5-7-14)11-20-28(26,27)15-8-9-17(19)18(10-15)23(24)25/h3-10,20H,11H2,1-2H3