4-[5-(4-bromophenyl)-3-(cyanomethyl)pyrazol-1-yl]benzenesulfonamide

Systemtic Name: 4-[5-(4-bromophenyl)-3-(cyanomethyl)pyrazol-1-yl]benzenesulfonamide Openeye Name: 4-[5-(4-bromophenyl)-3-(cyanomethyl)pyrazol-1-yl]benzenesulfonamide CAS Name: 4-[5-(4-bromophenyl)-3-(cyanomethyl)-1-pyrazolyl]benzenesulfonamide IUPAC Name: 4-[5-(4-bromophenyl)-3-(cyanomethyl)pyrazol-1-yl]benzenesulfonamide Traditional Name: 4-[5-(4-bromophenyl)-3-(cyanomethyl)pyrazol-1-yl]benzenesulfonamide Formula: C17H13BrN4O2S MolecularWeight: 417.27972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)CC#N)Br

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)CC#N)Br

InChI

InChI=1S/C17H13BrN4O2S/c18-13-3-1-12(2-4-13)17-11-14(9-10-19)21-22(17)15-5-7-16(8-6-15)25(20,23)24/h1-8,11H,9H2,(H2,20,23,24)