4-chloranyl-N-[5-(2-cyanoethyl)-8-pyridin-3-yl-octyl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[5-(2-cyanoethyl)-8-pyridin-3-yl-octyl]benzenesulfonamide Openeye Name: 4-chloro-N-[5-(2-cyanoethyl)-8-(3-pyridyl)octyl]benzenesulfonamide CAS Name: 4-chloro-N-[5-(2-cyanoethyl)-8-(3-pyridinyl)octyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[5-(2-cyanoethyl)-8-pyridin-3-yloctyl]benzenesulfonamide Traditional Name: 4-chloro-N-[5-(2-cyanoethyl)-8-(3-pyridyl)octyl]benzenesulfonamide Formula: C22H28ClN3O2S MolecularWeight: 433.99462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CCCC(CCCCNS(=O)(=O)C2=CC=C(C=C2)Cl)CCC#N

Isomeric SMILES

C1=CC(=CN=C1)CCCC(CCCCNS(=O)(=O)C2=CC=C(C=C2)Cl)CCC#N

InChI

InChI=1S/C22H28ClN3O2S/c23-21-11-13-22(14-12-21)29(27,28)26-17-2-1-6-19(9-4-15-24)7-3-8-20-10-5-16-25-18-20/h5,10-14,16,18-19,26H,1-4,6-9,17H2