2,3,4,5,6-pentamethyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide

Systemtic Name: 2,3,4,5,6-pentamethyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide Openeye Name: 2,3,4,5,6-pentamethyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide CAS Name: 2,3,4,5,6-pentamethyl-N-[4-(1-pyrazolylmethyl)phenyl]benzenesulfonamide IUPAC Name: 2,3,4,5,6-pentamethyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide Traditional Name: 2,3,4,5,6-pentamethyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide Formula: C21H25N3O2S MolecularWeight: 383.5071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)NC2=CC=C(C=C2)CN3C=CC=N3)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)NC2=CC=C(C=C2)CN3C=CC=N3)C)C

InChI

InChI=1S/C21H25N3O2S/c1-14-15(2)17(4)21(18(5)16(14)3)27(25,26)23-20-9-7-19(8-10-20)13-24-12-6-11-22-24/h6-12,23H,13H2,1-5H3