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

Systemtic Name: N-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[4-(3-ethynylanilino)quinazolin-6-yl]-4-methyl-benzenesulfonamide CAS Name: N-[4-(3-ethynylanilino)-6-quinazolinyl]-4-methylbenzenesulfonamide IUPAC Name: N-[4-(3-ethynylanilino)quinazolin-6-yl]-4-methylbenzenesulfonamide Traditional Name: N-[4-(3-ethynylanilino)quinazolin-6-yl]-4-methyl-benzenesulfonamide Formula: C23H18N4O2S MolecularWeight: 414.47962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC=CC(=C4)C#C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC=CC(=C4)C#C

InChI

InChI=1S/C23H18N4O2S/c1-3-17-5-4-6-18(13-17)26-23-21-14-19(9-12-22(21)24-15-25-23)27-30(28,29)20-10-7-16(2)8-11-20/h1,4-15,27H,2H3,(H,24,25,26)