N-[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-4-butan-2-yl-benzenesulfonamide

Systemtic Name: N-[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-4-butan-2-yl-benzenesulfonamide Openeye Name: N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-sec-butyl-benzenesulfonamide CAS Name: N-[3-[(4-bromo-1-pyrazolyl)methyl]phenyl]-4-butan-2-ylbenzenesulfonamide IUPAC Name: N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-butan-2-ylbenzenesulfonamide Traditional Name: N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-sec-butyl-benzenesulfonamide Formula: C20H22BrN3O2S MolecularWeight: 448.37658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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