2-[4-[[1-(2-bromanyl-5-nitro-phenyl)-3-butyl-5-cyano-pyrazol-4-yl]methyl]-3-fluoranyl-phenyl]benzenesulfonamide

Systemtic Name: 2-[4-[[1-(2-bromanyl-5-nitro-phenyl)-3-butyl-5-cyano-pyrazol-4-yl]methyl]-3-fluoranyl-phenyl]benzenesulfonamide Openeye Name: 2-[4-[[1-(2-bromo-5-nitro-phenyl)-3-butyl-5-cyano-pyrazol-4-yl]methyl]-3-fluoro-phenyl]benzenesulfonamide CAS Name: 2-[4-[[1-(2-bromo-5-nitrophenyl)-3-butyl-5-cyano-4-pyrazolyl]methyl]-3-fluorophenyl]benzenesulfonamide IUPAC Name: 2-[4-[[1-(2-bromo-5-nitrophenyl)-3-butyl-5-cyanopyrazol-4-yl]methyl]-3-fluorophenyl]benzenesulfonamide Traditional Name: 2-[4-[[1-(2-bromo-5-nitro-phenyl)-3-butyl-5-cyano-pyrazol-4-yl]methyl]-3-fluoro-phenyl]benzenesulfonamide Formula: C27H23BrFN5O4S MolecularWeight: 612.470023

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=C1CC2=C(C=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)F)C#N)C4=C(C=CC(=C4)[N+](=O)[O-])Br

Isomeric SMILES

CCCCC1=NN(C(=C1CC2=C(C=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)F)C#N)C4=C(C=CC(=C4)[N+](=O)[O-])Br

InChI

InChI=1S/C27H23BrFN5O4S/c1-2-3-7-24-21(26(16-30)33(32-24)25-15-19(34(35)36)11-12-22(25)28)13-18-10-9-17(14-23(18)29)20-6-4-5-8-27(20)39(31,37)38/h4-6,8-12,14-15H,2-3,7,13H2,1H3,(H2,31,37,38)