4-butyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide

Systemtic Name: 4-butyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide Openeye Name: 4-butyl-N-[1-(p-tolylmethyl)pyrazol-3-yl]benzenesulfonamide CAS Name: 4-butyl-N-[1-[(4-methylphenyl)methyl]-3-pyrazolyl]benzenesulfonamide IUPAC Name: 4-butyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide Traditional Name: 4-butyl-N-[1-(4-methylbenzyl)pyrazol-3-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=NN(C=C2)CC3=CC=C(C=C3)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=NN(C=C2)CC3=CC=C(C=C3)C

InChI

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