4-bromanyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide Openeye Name: 4-bromo-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide CAS Name: 4-bromo-N-[3-(1-pyrazolylmethyl)phenyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide Traditional Name: 4-bromo-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide Formula: C16H14BrN3O2S MolecularWeight: 392.27026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)Br)CN3C=CC=N3

Isomeric SMILES

C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)Br)CN3C=CC=N3

InChI

InChI=1S/C16H14BrN3O2S/c17-14-5-7-16(8-6-14)23(21,22)19-15-4-1-3-13(11-15)12-20-10-2-9-18-20/h1-11,19H,12H2