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

Systemtic Name: N-[4-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)phenyl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[4-(4-bromo-3,5-dimethyl-pyrazol-1-yl)phenyl]-4-fluoro-benzenesulfonamide CAS Name: N-[4-(4-bromo-3,5-dimethyl-1-pyrazolyl)phenyl]-4-fluorobenzenesulfonamide IUPAC Name: N-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]-4-fluorobenzenesulfonamide Traditional Name: N-[4-(4-bromo-3,5-dimethyl-pyrazol-1-yl)phenyl]-4-fluoro-benzenesulfonamide Formula: C17H15BrFN3O2S MolecularWeight: 424.287303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)F)C)Br

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)F)C)Br

InChI

InChI=1S/C17H15BrFN3O2S/c1-11-17(18)12(2)22(20-11)15-7-5-14(6-8-15)21-25(23,24)16-9-3-13(19)4-10-16/h3-10,21H,1-2H3