N-[4-bromanyl-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-butyl-benzenesulfonamide

Systemtic Name: N-[4-bromanyl-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-butyl-benzenesulfonamide Openeye Name: N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-butyl-benzenesulfonamide CAS Name: N-[4-bromo-1-[(2-chlorophenyl)methyl]-3-pyrazolyl]-4-butylbenzenesulfonamide IUPAC Name: N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-butylbenzenesulfonamide Traditional Name: N-[4-bromo-1-(2-chlorobenzyl)pyrazol-3-yl]-4-butyl-benzenesulfonamide Formula: C20H21BrClN3O2S MolecularWeight: 482.82164

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=CC=C3Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=NN(C=C2Br)CC3=CC=CC=C3Cl

InChI

InChI=1S/C20H21BrClN3O2S/c1-2-3-6-15-9-11-17(12-10-15)28(26,27)24-20-18(21)14-25(23-20)13-16-7-4-5-8-19(16)22/h4-5,7-12,14H,2-3,6,13H2,1H3,(H,23,24)