N-[3-[4-[(3-methoxy-4-phenoxy-phenyl)amino]quinazolin-6-yl]prop-2-ynyl]methanesulfonamide

Systemtic Name: N-[3-[4-[(3-methoxy-4-phenoxy-phenyl)amino]quinazolin-6-yl]prop-2-ynyl]methanesulfonamide Openeye Name: N-[3-[4-(3-methoxy-4-phenoxy-anilino)quinazolin-6-yl]prop-2-ynyl]methanesulfonamide CAS Name: N-[3-[4-(3-methoxy-4-phenoxyanilino)-6-quinazolinyl]prop-2-ynyl]methanesulfonamide IUPAC Name: N-[3-[4-(3-methoxy-4-phenoxyanilino)quinazolin-6-yl]prop-2-ynyl]methanesulfonamide Traditional Name: N-[3-[4-(3-methoxy-4-phenoxy-anilino)quinazolin-6-yl]prop-2-ynyl]methanesulfonamide Formula: C25H22N4O4S MolecularWeight: 474.53158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CCNS(=O)(=O)C)OC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CCNS(=O)(=O)C)OC4=CC=CC=C4

InChI

InChI=1S/C25H22N4O4S/c1-32-24-16-19(11-13-23(24)33-20-8-4-3-5-9-20)29-25-21-15-18(7-6-14-28-34(2,30)31)10-12-22(21)26-17-27-25/h3-5,8-13,15-17,28H,14H2,1-2H3,(H,26,27,29)