N-[1-[(3-ethynylphenyl)amino]-4H-quinazolin-6-yl]methanesulfonamide

Systemtic Name: N-[1-[(3-ethynylphenyl)amino]-4H-quinazolin-6-yl]methanesulfonamide Openeye Name: N-[1-(3-ethynylanilino)-4H-quinazolin-6-yl]methanesulfonamide CAS Name: N-[1-(3-ethynylanilino)-4H-quinazolin-6-yl]methanesulfonamide IUPAC Name: N-[1-(3-ethynylanilino)-4H-quinazolin-6-yl]methanesulfonamide Traditional Name: N-[1-(3-ethynylanilino)-4H-quinazolin-6-yl]methanesulfonamide Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC2=C(C=C1)N(C=NC2)NC3=CC=CC(=C3)C#C

Isomeric SMILES

CS(=O)(=O)NC1=CC2=C(C=C1)N(C=NC2)NC3=CC=CC(=C3)C#C

InChI

InChI=1S/C17H16N4O2S/c1-3-13-5-4-6-15(9-13)19-21-12-18-11-14-10-16(7-8-17(14)21)20-24(2,22)23/h1,4-10,12,19-20H,11H2,2H3