N-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]methanesulfonamide

Systemtic Name: N-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]methanesulfonamide Openeye Name: N-[4-(3-ethynylanilino)quinazolin-6-yl]methanesulfonamide CAS Name: N-[4-(3-ethynylanilino)-6-quinazolinyl]methanesulfonamide IUPAC Name: N-[4-(3-ethynylanilino)quinazolin-6-yl]methanesulfonamide Traditional Name: N-[4-(3-ethynylanilino)quinazolin-6-yl]methanesulfonamide Formula: C17H14N4O2S MolecularWeight: 338.38366

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC=CC(=C3)C#C

Isomeric SMILES

CS(=O)(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC=CC(=C3)C#C

InChI

InChI=1S/C17H14N4O2S/c1-3-12-5-4-6-13(9-12)20-17-15-10-14(21-24(2,22)23)7-8-16(15)18-11-19-17/h1,4-11,21H,2H3,(H,18,19,20)