4-butyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzenesulfonamide

Systemtic Name: 4-butyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzenesulfonamide Openeye Name: 4-butyl-N-[1-(o-tolylmethyl)pyrazol-4-yl]benzenesulfonamide CAS Name: 4-butyl-N-[1-[(2-methylphenyl)methyl]-4-pyrazolyl]benzenesulfonamide IUPAC Name: 4-butyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzenesulfonamide Traditional Name: 4-butyl-N-[1-(2-methylbenzyl)pyrazol-4-yl]benzenesulfonamide Formula: C21H25N3O2S MolecularWeight: 383.5071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=CN(N=C2)CC3=CC=CC=C3C

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=CN(N=C2)CC3=CC=CC=C3C

InChI

InChI=1S/C21H25N3O2S/c1-3-4-8-18-10-12-21(13-11-18)27(25,26)23-20-14-22-24(16-20)15-19-9-6-5-7-17(19)2/h5-7,9-14,16,23H,3-4,8,15H2,1-2H3