N-[4-bromanyl-1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-4-butyl-benzenesulfonamide

Systemtic Name: N-[4-bromanyl-1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-4-butyl-benzenesulfonamide Openeye Name: N-[4-bromo-1-[(2-chloro-6-fluoro-phenyl)methyl]pyrazol-3-yl]-4-butyl-benzenesulfonamide CAS Name: N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]-3-pyrazolyl]-4-butylbenzenesulfonamide IUPAC Name: N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-butylbenzenesulfonamide Traditional Name: N-[4-bromo-1-(2-chloro-6-fluoro-benzyl)pyrazol-3-yl]-4-butyl-benzenesulfonamide Formula: C20H20BrClFN3O2S MolecularWeight: 500.812103

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=NN(C=C2Br)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=NN(C=C2Br)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C20H20BrClFN3O2S/c1-2-3-5-14-8-10-15(11-9-14)29(27,28)25-20-17(21)13-26(24-20)12-16-18(22)6-4-7-19(16)23/h4,6-11,13H,2-3,5,12H2,1H3,(H,24,25)