N-[1-(phenylsulfonyl)indol-5-yl]-6-(2-piperidin-4-ylethynyl)quinazolin-4-amine

Systemtic Name: N-[1-(phenylsulfonyl)indol-5-yl]-6-(2-piperidin-4-ylethynyl)quinazolin-4-amine Openeye Name: N-[1-(benzenesulfonyl)indol-5-yl]-6-[2-(4-piperidyl)ethynyl]quinazolin-4-amine CAS Name: N-[1-(benzenesulfonyl)-5-indolyl]-6-[2-(4-piperidinyl)ethynyl]-4-quinazolinamine IUPAC Name: N-[1-(benzenesulfonyl)indol-5-yl]-6-(2-piperidin-4-ylethynyl)quinazolin-4-amine Traditional Name: (1-besylindol-5-yl)-[6-[2-(4-piperidyl)ethynyl]quinazolin-4-yl]amine Formula: C29H25N5O2S MolecularWeight: 507.6061

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC5=C(C=C4)N(C=C5)S(=O)(=O)C6=CC=CC=C6

Isomeric SMILES

C1CNCCC1C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC5=C(C=C4)N(C=C5)S(=O)(=O)C6=CC=CC=C6

InChI

InChI=1S/C29H25N5O2S/c35-37(36,25-4-2-1-3-5-25)34-17-14-23-19-24(9-11-28(23)34)33-29-26-18-22(8-10-27(26)31-20-32-29)7-6-21-12-15-30-16-13-21/h1-5,8-11,14,17-21,30H,12-13,15-16H2,(H,31,32,33)