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

Systemtic Name: N-[4-bromanyl-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-butyl-benzenesulfonamide Openeye Name: N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-butyl-benzenesulfonamide CAS Name: N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]-3-pyrazolyl]-4-butylbenzenesulfonamide IUPAC Name: N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-butylbenzenesulfonamide Traditional Name: N-[4-bromo-1-(3,4-dichlorobenzyl)pyrazol-3-yl]-4-butyl-benzenesulfonamide Formula: C20H20BrCl2N3O2S MolecularWeight: 517.2667

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)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrCl2N3O2S/c1-2-3-4-14-5-8-16(9-6-14)29(27,28)25-20-17(21)13-26(24-20)12-15-7-10-18(22)19(23)11-15/h5-11,13H,2-4,12H2,1H3,(H,24,25)