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

Systemtic Name: N-[4-[4-[(3-chloranyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]but-3-yn-2-yl]methanesulfonamide Openeye Name: N-[3-[4-(3-chloro-4-phenoxy-anilino)quinazolin-6-yl]-1-methyl-prop-2-ynyl]methanesulfonamide CAS Name: N-[4-[4-(3-chloro-4-phenoxyanilino)-6-quinazolinyl]but-3-yn-2-yl]methanesulfonamide IUPAC Name: N-[4-[4-(3-chloro-4-phenoxyanilino)quinazolin-6-yl]but-3-yn-2-yl]methanesulfonamide Traditional Name: N-[3-[4-(3-chloro-4-phenoxy-anilino)quinazolin-6-yl]-1-methyl-prop-2-ynyl]methanesulfonamide Formula: C25H21ClN4O3S MolecularWeight: 492.97724

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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)Cl)NS(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C25H21ClN4O3S/c1-17(30-34(2,31)32)8-9-18-10-12-23-21(14-18)25(28-16-27-23)29-19-11-13-24(22(26)15-19)33-20-6-4-3-5-7-20/h3-7,10-17,30H,1-2H3,(H,27,28,29)