N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-iodanyl-quinazolin-6-yl]-3-(phenylsulfonyl)propanamide

Systemtic Name: N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-iodanyl-quinazolin-6-yl]-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-[4-(3-chloro-4-fluoro-anilino)-7-iodo-quinazolin-6-yl]propanamide CAS Name: 3-(benzenesulfonyl)-N-[4-(3-chloro-4-fluoroanilino)-7-iodo-6-quinazolinyl]propanamide IUPAC Name: 3-(benzenesulfonyl)-N-[4-(3-chloro-4-fluoroanilino)-7-iodoquinazolin-6-yl]propanamide Traditional Name: 3-besyl-N-[4-(3-chloro-4-fluoro-anilino)-7-iodo-quinazolin-6-yl]propionamide Formula: C23H17ClFIN4O3S MolecularWeight: 610.826953

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl)I

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl)I

InChI

InChI=1S/C23H17ClFIN4O3S/c24-17-10-14(6-7-18(17)25)29-23-16-11-21(19(26)12-20(16)27-13-28-23)30-22(31)8-9-34(32,33)15-4-2-1-3-5-15/h1-7,10-13H,8-9H2,(H,30,31)(H,27,28,29)