4-[4-[[1-(phenylsulfonyl)indol-5-yl]amino]quinazolin-6-yl]-2-pyridin-4-yl-but-3-yn-2-ol

Systemtic Name: 4-[4-[[1-(phenylsulfonyl)indol-5-yl]amino]quinazolin-6-yl]-2-pyridin-4-yl-but-3-yn-2-ol Openeye Name: 4-[4-[[1-(benzenesulfonyl)indol-5-yl]amino]quinazolin-6-yl]-2-(4-pyridyl)but-3-yn-2-ol CAS Name: 4-[4-[[1-(benzenesulfonyl)-5-indolyl]amino]-6-quinazolinyl]-2-pyridin-4-yl-3-butyn-2-ol IUPAC Name: 4-[4-[[1-(benzenesulfonyl)indol-5-yl]amino]quinazolin-6-yl]-2-pyridin-4-ylbut-3-yn-2-ol Traditional Name: 4-[4-[(1-besylindol-5-yl)amino]quinazolin-6-yl]-2-(4-pyridyl)but-3-yn-2-ol Formula: C31H23N5O3S MolecularWeight: 545.61102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC1=CC2=C(C=C1)N=CN=C2NC3=CC4=C(C=C3)N(C=C4)S(=O)(=O)C5=CC=CC=C5)(C6=CC=NC=C6)O

Isomeric SMILES

CC(C#CC1=CC2=C(C=C1)N=CN=C2NC3=CC4=C(C=C3)N(C=C4)S(=O)(=O)C5=CC=CC=C5)(C6=CC=NC=C6)O

InChI

InChI=1S/C31H23N5O3S/c1-31(37,24-12-16-32-17-13-24)15-11-22-7-9-28-27(19-22)30(34-21-33-28)35-25-8-10-29-23(20-25)14-18-36(29)40(38,39)26-5-3-2-4-6-26/h2-10,12-14,16-21,37H,1H3,(H,33,34,35)