4-[7-(6-cyanopyridin-3-yl)spiro[3.4]octa-5,7-dien-6-yl]benzenesulfonamide

Systemtic Name: 4-[7-(6-cyanopyridin-3-yl)spiro[3.4]octa-5,7-dien-6-yl]benzenesulfonamide Openeye Name: 4-[7-(6-cyano-3-pyridyl)spiro[3.4]octa-5,7-dien-6-yl]benzenesulfonamide CAS Name: 4-[7-(6-cyano-3-pyridinyl)-6-spiro[3.4]octa-5,7-dienyl]benzenesulfonamide IUPAC Name: 4-[7-(6-cyanopyridin-3-yl)spiro[3.4]octa-5,7-dien-6-yl]benzenesulfonamide Traditional Name: 4-[7-(6-cyano-3-pyridyl)spiro[3.4]octa-5,7-dien-6-yl]benzenesulfonamide Formula: C20H17N3O2S MolecularWeight: 363.43288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2(C1)C=C(C(=C2)C3=CN=C(C=C3)C#N)C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1CC2(C1)C=C(C(=C2)C3=CN=C(C=C3)C#N)C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C20H17N3O2S/c21-12-16-5-2-15(13-23-16)19-11-20(8-1-9-20)10-18(19)14-3-6-17(7-4-14)26(22,24)25/h2-7,10-11,13H,1,8-9H2,(H2,22,24,25)