N-(1H-indol-5-yl)-N-[6-[2-(3-oxidanylpiperidin-3-yl)ethynyl]quinazolin-4-yl]benzenesulfonamide

Systemtic Name: N-(1H-indol-5-yl)-N-[6-[2-(3-oxidanylpiperidin-3-yl)ethynyl]quinazolin-4-yl]benzenesulfonamide Openeye Name: N-[6-[2-(3-hydroxy-3-piperidyl)ethynyl]quinazolin-4-yl]-N-(1H-indol-5-yl)benzenesulfonamide CAS Name: N-[6-[2-(3-hydroxy-3-piperidinyl)ethynyl]-4-quinazolinyl]-N-(1H-indol-5-yl)benzenesulfonamide IUPAC Name: N-[6-[2-(3-hydroxypiperidin-3-yl)ethynyl]quinazolin-4-yl]-N-(1H-indol-5-yl)benzenesulfonamide Traditional Name: N-[6-[2-(3-hydroxy-3-piperidyl)ethynyl]quinazolin-4-yl]-N-(1H-indol-5-yl)benzenesulfonamide Formula: C29H25N5O3S MolecularWeight: 523.6055

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)(C#CC2=CC3=C(C=C2)N=CN=C3N(C4=CC5=C(C=C4)NC=C5)S(=O)(=O)C6=CC=CC=C6)O

Isomeric SMILES

C1CC(CNC1)(C#CC2=CC3=C(C=C2)N=CN=C3N(C4=CC5=C(C=C4)NC=C5)S(=O)(=O)C6=CC=CC=C6)O

InChI

InChI=1S/C29H25N5O3S/c35-29(13-4-15-30-19-29)14-11-21-7-9-27-25(17-21)28(33-20-32-27)34(38(36,37)24-5-2-1-3-6-24)23-8-10-26-22(18-23)12-16-31-26/h1-3,5-10,12,16-18,20,30-31,35H,4,13,15,19H2