N-(1H-indol-5-yl)-N-[6-(3-methyl-3-oxidanyl-but-1-ynyl)quinazolin-4-yl]benzenesulfonamide

Systemtic Name: N-(1H-indol-5-yl)-N-[6-(3-methyl-3-oxidanyl-but-1-ynyl)quinazolin-4-yl]benzenesulfonamide Openeye Name: N-[6-(3-hydroxy-3-methyl-but-1-ynyl)quinazolin-4-yl]-N-(1H-indol-5-yl)benzenesulfonamide CAS Name: N-[6-(3-hydroxy-3-methylbut-1-ynyl)-4-quinazolinyl]-N-(1H-indol-5-yl)benzenesulfonamide IUPAC Name: N-[6-(3-hydroxy-3-methylbut-1-ynyl)quinazolin-4-yl]-N-(1H-indol-5-yl)benzenesulfonamide Traditional Name: N-[6-(3-hydroxy-3-methyl-but-1-ynyl)quinazolin-4-yl]-N-(1H-indol-5-yl)benzenesulfonamide Formula: C27H22N4O3S MolecularWeight: 482.55358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC2=C(C=C1)N=CN=C2N(C3=CC4=C(C=C3)NC=C4)S(=O)(=O)C5=CC=CC=C5)O

Isomeric SMILES

CC(C)(C#CC1=CC2=C(C=C1)N=CN=C2N(C3=CC4=C(C=C3)NC=C4)S(=O)(=O)C5=CC=CC=C5)O

InChI

InChI=1S/C27H22N4O3S/c1-27(2,32)14-12-19-8-10-25-23(16-19)26(30-18-29-25)31(35(33,34)22-6-4-3-5-7-22)21-9-11-24-20(17-21)13-15-28-24/h3-11,13,15-18,28,32H,1-2H3