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

Systemtic Name: N-[4-[4-[(3-methoxy-4-phenoxy-phenyl)amino]quinazolin-6-yl]but-3-yn-2-yl]methanesulfonamide Openeye Name: N-[3-[4-(3-methoxy-4-phenoxy-anilino)quinazolin-6-yl]-1-methyl-prop-2-ynyl]methanesulfonamide CAS Name: N-[4-[4-(3-methoxy-4-phenoxyanilino)-6-quinazolinyl]but-3-yn-2-yl]methanesulfonamide IUPAC Name: N-[4-[4-(3-methoxy-4-phenoxyanilino)quinazolin-6-yl]but-3-yn-2-yl]methanesulfonamide Traditional Name: N-[3-[4-(3-methoxy-4-phenoxy-anilino)quinazolin-6-yl]-1-methyl-prop-2-ynyl]methanesulfonamide Formula: C26H24N4O4S MolecularWeight: 488.55816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OC4=CC=CC=C4)OC)NS(=O)(=O)C

Isomeric SMILES

CC(C#CC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OC4=CC=CC=C4)OC)NS(=O)(=O)C

InChI

InChI=1S/C26H24N4O4S/c1-18(30-35(3,31)32)9-10-19-11-13-23-22(15-19)26(28-17-27-23)29-20-12-14-24(25(16-20)33-2)34-21-7-5-4-6-8-21/h4-8,11-18,30H,1-3H3,(H,27,28,29)