N-[6-[2-(3-oxidanylpiperidin-3-yl)ethynyl]quinazolin-4-yl]-N-phenyl-benzenesulfinamide

Systemtic Name: N-[6-[2-(3-oxidanylpiperidin-3-yl)ethynyl]quinazolin-4-yl]-N-phenyl-benzenesulfinamide Openeye Name: N-[6-[2-(3-hydroxy-3-piperidyl)ethynyl]quinazolin-4-yl]-N-phenyl-benzenesulfinamide CAS Name: N-[6-[2-(3-hydroxy-3-piperidinyl)ethynyl]-4-quinazolinyl]-N-phenylbenzenesulfinamide IUPAC Name: N-[6-[2-(3-hydroxypiperidin-3-yl)ethynyl]quinazolin-4-yl]-N-phenylbenzenesulfinamide Traditional Name: N-[6-[2-(3-hydroxy-3-piperidyl)ethynyl]quinazolin-4-yl]-N-phenyl-benzenesulfinamide Formula: C27H24N4O2S MolecularWeight: 468.57006

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)(C#CC2=CC3=C(C=C2)N=CN=C3N(C4=CC=CC=C4)S(=O)C5=CC=CC=C5)O

Isomeric SMILES

C1CC(CNC1)(C#CC2=CC3=C(C=C2)N=CN=C3N(C4=CC=CC=C4)S(=O)C5=CC=CC=C5)O

InChI

InChI=1S/C27H24N4O2S/c32-27(15-7-17-28-19-27)16-14-21-12-13-25-24(18-21)26(30-20-29-25)31(22-8-3-1-4-9-22)34(33)23-10-5-2-6-11-23/h1-6,8-13,18,20,28,32H,7,15,17,19H2