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

Systemtic Name: N-(1H-indol-5-yl)-N-[6-[2-(3-oxidanylpiperidin-3-yl)ethynyl]quinazolin-4-yl]propane-1-sulfonamide Openeye Name: N-[6-[2-(3-hydroxy-3-piperidyl)ethynyl]quinazolin-4-yl]-N-(1H-indol-5-yl)propane-1-sulfonamide CAS Name: N-[6-[2-(3-hydroxy-3-piperidinyl)ethynyl]-4-quinazolinyl]-N-(1H-indol-5-yl)-1-propanesulfonamide IUPAC Name: N-[6-[2-(3-hydroxypiperidin-3-yl)ethynyl]quinazolin-4-yl]-N-(1H-indol-5-yl)propane-1-sulfonamide Traditional Name: N-[6-[2-(3-hydroxy-3-piperidyl)ethynyl]quinazolin-4-yl]-N-(1H-indol-5-yl)propane-1-sulfonamide Formula: C26H27N5O3S MolecularWeight: 489.58928

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N(C1=CC2=C(C=C1)NC=C2)C3=NC=NC4=C3C=C(C=C4)C#CC5(CCCNC5)O

Isomeric SMILES

CCCS(=O)(=O)N(C1=CC2=C(C=C1)NC=C2)C3=NC=NC4=C3C=C(C=C4)C#CC5(CCCNC5)O

InChI

InChI=1S/C26H27N5O3S/c1-2-14-35(33,34)31(21-5-7-23-20(16-21)9-13-28-23)25-22-15-19(4-6-24(22)29-18-30-25)8-11-26(32)10-3-12-27-17-26/h4-7,9,13,15-16,18,27-28,32H,2-3,10,12,14,17H2,1H3