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

Systemtic Name: N-[4-bromanyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-butyl-benzenesulfonamide Openeye Name: N-[4-bromo-1-(p-tolylmethyl)pyrazol-3-yl]-4-butyl-benzenesulfonamide CAS Name: N-[4-bromo-1-[(4-methylphenyl)methyl]-3-pyrazolyl]-4-butylbenzenesulfonamide IUPAC Name: N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-butylbenzenesulfonamide Traditional Name: N-[4-bromo-1-(4-methylbenzyl)pyrazol-3-yl]-4-butyl-benzenesulfonamide Formula: C21H24BrN3O2S MolecularWeight: 462.40316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=NN(C=C2Br)CC3=CC=C(C=C3)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=NN(C=C2Br)CC3=CC=C(C=C3)C

InChI

InChI=1S/C21H24BrN3O2S/c1-3-4-5-17-10-12-19(13-11-17)28(26,27)24-21-20(22)15-25(23-21)14-18-8-6-16(2)7-9-18/h6-13,15H,3-5,14H2,1-2H3,(H,23,24)