N-[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-4-tert-butyl-benzenesulfonamide

Systemtic Name: N-[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-4-tert-butyl-benzenesulfonamide Openeye Name: N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-tert-butyl-benzenesulfonamide CAS Name: N-[3-[(4-bromo-1-pyrazolyl)methyl]phenyl]-4-tert-butylbenzenesulfonamide IUPAC Name: N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-tert-butylbenzenesulfonamide Traditional Name: N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-tert-butyl-benzenesulfonamide Formula: C20H22BrN3O2S MolecularWeight: 448.37658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)CN3C=C(C=N3)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)CN3C=C(C=N3)Br

InChI

InChI=1S/C20H22BrN3O2S/c1-20(2,3)16-7-9-19(10-8-16)27(25,26)23-18-6-4-5-15(11-18)13-24-14-17(21)12-22-24/h4-12,14,23H,13H2,1-3H3