N-[2-(1,3-dimethyl-5-phenoxy-pyrazol-4-yl)ethyl]-4-fluoranyl-benzenesulfonamide

Systemtic Name: N-[2-(1,3-dimethyl-5-phenoxy-pyrazol-4-yl)ethyl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[2-(1,3-dimethyl-5-phenoxy-pyrazol-4-yl)ethyl]-4-fluoro-benzenesulfonamide CAS Name: N-[2-(1,3-dimethyl-5-phenoxy-4-pyrazolyl)ethyl]-4-fluorobenzenesulfonamide IUPAC Name: N-[2-(1,3-dimethyl-5-phenoxypyrazol-4-yl)ethyl]-4-fluorobenzenesulfonamide Traditional Name: N-[2-(1,3-dimethyl-5-phenoxy-pyrazol-4-yl)ethyl]-4-fluoro-benzenesulfonamide Formula: C19H20FN3O3S MolecularWeight: 389.443803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CCNS(=O)(=O)C2=CC=C(C=C2)F)OC3=CC=CC=C3)C

Isomeric SMILES

CC1=NN(C(=C1CCNS(=O)(=O)C2=CC=C(C=C2)F)OC3=CC=CC=C3)C

InChI

InChI=1S/C19H20FN3O3S/c1-14-18(19(23(2)22-14)26-16-6-4-3-5-7-16)12-13-21-27(24,25)17-10-8-15(20)9-11-17/h3-11,21H,12-13H2,1-2H3