4-[7-(5-cyanopyridin-2-yl)spiro[3.4]octa-5,7-dien-6-yl]benzenesulfonamide

Systemtic Name: 4-[7-(5-cyanopyridin-2-yl)spiro[3.4]octa-5,7-dien-6-yl]benzenesulfonamide Openeye Name: 4-[7-(5-cyano-2-pyridyl)spiro[3.4]octa-5,7-dien-6-yl]benzenesulfonamide CAS Name: 4-[7-(5-cyano-2-pyridinyl)-6-spiro[3.4]octa-5,7-dienyl]benzenesulfonamide IUPAC Name: 4-[7-(5-cyanopyridin-2-yl)spiro[3.4]octa-5,7-dien-6-yl]benzenesulfonamide Traditional Name: 4-[7-(5-cyano-2-pyridyl)spiro[3.4]octa-5,7-dien-6-yl]benzenesulfonamide Formula: C20H17N3O2S MolecularWeight: 363.43288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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