N-[4-bromanyl-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-butyl-benzenesulfonamide

Systemtic Name: N-[4-bromanyl-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-butyl-benzenesulfonamide Openeye Name: N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-butyl-benzenesulfonamide CAS Name: N-[4-bromo-1-[(4-fluorophenyl)methyl]-3-pyrazolyl]-4-butylbenzenesulfonamide IUPAC Name: N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-butylbenzenesulfonamide Traditional Name: N-[4-bromo-1-(4-fluorobenzyl)pyrazol-3-yl]-4-butyl-benzenesulfonamide Formula: C20H21BrFN3O2S MolecularWeight: 466.367043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=NN(C=C2Br)CC3=CC=C(C=C3)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=NN(C=C2Br)CC3=CC=C(C=C3)F

InChI

InChI=1S/C20H21BrFN3O2S/c1-2-3-4-15-7-11-18(12-8-15)28(26,27)24-20-19(21)14-25(23-20)13-16-5-9-17(22)10-6-16/h5-12,14H,2-4,13H2,1H3,(H,23,24)