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

Systemtic Name: N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-fluoro-benzenesulfonamide CAS Name: N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-4-fluorobenzenesulfonamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-fluoro-benzenesulfonamide Formula: C19H20FN3O2S MolecularWeight: 373.444403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H20FN3O2S/c1-14-19(12-21-26(24,25)18-10-8-17(20)9-11-18)15(2)23(22-14)13-16-6-4-3-5-7-16/h3-11,21H,12-13H2,1-2H3