4-[2-[4-[[1-(phenylsulfonyl)indol-5-yl]amino]quinazolin-6-yl]ethynyl]piperidin-4-ol

Systemtic Name: 4-[2-[4-[[1-(phenylsulfonyl)indol-5-yl]amino]quinazolin-6-yl]ethynyl]piperidin-4-ol Openeye Name: 4-[2-[4-[[1-(benzenesulfonyl)indol-5-yl]amino]quinazolin-6-yl]ethynyl]piperidin-4-ol CAS Name: 4-[2-[4-[[1-(benzenesulfonyl)-5-indolyl]amino]-6-quinazolinyl]ethynyl]-4-piperidinol IUPAC Name: 4-[2-[4-[[1-(benzenesulfonyl)indol-5-yl]amino]quinazolin-6-yl]ethynyl]piperidin-4-ol Traditional Name: 4-[2-[4-[(1-besylindol-5-yl)amino]quinazolin-6-yl]ethynyl]piperidin-4-ol Formula: C29H25N5O3S MolecularWeight: 523.6055

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1(C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC5=C(C=C4)N(C=C5)S(=O)(=O)C6=CC=CC=C6)O

Isomeric SMILES

C1CNCCC1(C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC5=C(C=C4)N(C=C5)S(=O)(=O)C6=CC=CC=C6)O

InChI

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