4-tert-butyl-N-[4-chloranyl-2-(2-cyanopyridin-4-yl)carbonyl-phenyl]benzenesulfonamide

Systemtic Name: 4-tert-butyl-N-[4-chloranyl-2-(2-cyanopyridin-4-yl)carbonyl-phenyl]benzenesulfonamide Openeye Name: 4-tert-butyl-N-[4-chloro-2-(2-cyanopyridine-4-carbonyl)phenyl]benzenesulfonamide CAS Name: 4-tert-butyl-N-[4-chloro-2-[(2-cyano-4-pyridinyl)-oxomethyl]phenyl]benzenesulfonamide IUPAC Name: 4-tert-butyl-N-[4-chloro-2-(2-cyanopyridine-4-carbonyl)phenyl]benzenesulfonamide Traditional Name: 4-tert-butyl-N-[4-chloro-2-(2-cyanoisonicotinoyl)phenyl]benzenesulfonamide Formula: C23H20ClN3O3S MolecularWeight: 453.9412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC(=NC=C3)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC(=NC=C3)C#N

InChI

InChI=1S/C23H20ClN3O3S/c1-23(2,3)16-4-7-19(8-5-16)31(29,30)27-21-9-6-17(24)13-20(21)22(28)15-10-11-26-18(12-15)14-25/h4-13,27H,1-3H3