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

Systemtic Name: N-(1H-indol-5-yl)-N-[6-[2-(3-oxidanylpyrrolidin-3-yl)ethynyl]quinazolin-4-yl]benzenesulfonamide Openeye Name: N-[6-[2-(3-hydroxypyrrolidin-3-yl)ethynyl]quinazolin-4-yl]-N-(1H-indol-5-yl)benzenesulfonamide CAS Name: N-[6-[2-(3-hydroxy-3-pyrrolidinyl)ethynyl]-4-quinazolinyl]-N-(1H-indol-5-yl)benzenesulfonamide IUPAC Name: N-[6-[2-(3-hydroxypyrrolidin-3-yl)ethynyl]quinazolin-4-yl]-N-(1H-indol-5-yl)benzenesulfonamide Traditional Name: N-[6-[2-(3-hydroxypyrrolidin-3-yl)ethynyl]quinazolin-4-yl]-N-(1H-indol-5-yl)benzenesulfonamide Formula: C28H23N5O3S MolecularWeight: 509.57892

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1(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

C1CNCC1(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/C28H23N5O3S/c34-28(13-15-29-18-28)12-10-20-6-8-26-24(16-20)27(32-19-31-26)33(37(35,36)23-4-2-1-3-5-23)22-7-9-25-21(17-22)11-14-30-25/h1-9,11,14,16-17,19,29-30,34H,13,15,18H2