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

Systemtic Name: N-[4-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]but-3-yn-2-yl]methanesulfonamide Openeye Name: N-[1-methyl-3-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]prop-2-ynyl]methanesulfonamide CAS Name: N-[4-[4-(3-methyl-4-phenoxyanilino)-6-quinazolinyl]but-3-yn-2-yl]methanesulfonamide IUPAC Name: N-[4-[4-(3-methyl-4-phenoxyanilino)quinazolin-6-yl]but-3-yn-2-yl]methanesulfonamide Traditional Name: N-[1-methyl-3-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]prop-2-ynyl]methanesulfonamide Formula: C26H24N4O3S MolecularWeight: 472.55876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC(C)NS(=O)(=O)C)OC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC(C)NS(=O)(=O)C)OC4=CC=CC=C4

InChI

InChI=1S/C26H24N4O3S/c1-18-15-21(12-14-25(18)33-22-7-5-4-6-8-22)29-26-23-16-20(11-13-24(23)27-17-28-26)10-9-19(2)30-34(3,31)32/h4-8,11-17,19,30H,1-3H3,(H,27,28,29)