6-[4-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[2-(phenylsulfonyl)phenyl]quinazolin-4-amine

Systemtic Name: 6-[4-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[2-(phenylsulfonyl)phenyl]quinazolin-4-amine Openeye Name: N-[2-(benzenesulfonyl)phenyl]-6-[4-[(2-methylsulfonylethylamino)methyl]-2-furyl]quinazolin-4-amine CAS Name: N-[2-(benzenesulfonyl)phenyl]-6-[4-[(2-methylsulfonylethylamino)methyl]-2-furanyl]-4-quinazolinamine IUPAC Name: N-[2-(benzenesulfonyl)phenyl]-6-[4-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine Traditional Name: [5-[4-(2-besylanilino)quinazolin-6-yl]-3-furyl]methyl-(2-mesylethyl)amine Formula: C28H26N4O5S2 MolecularWeight: 562.65984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCNCC1=COC(=C1)C2=CC3=C(C=C2)N=CN=C3NC4=CC=CC=C4S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)CCNCC1=COC(=C1)C2=CC3=C(C=C2)N=CN=C3NC4=CC=CC=C4S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H26N4O5S2/c1-38(33,34)14-13-29-17-20-15-26(37-18-20)21-11-12-24-23(16-21)28(31-19-30-24)32-25-9-5-6-10-27(25)39(35,36)22-7-3-2-4-8-22/h2-12,15-16,18-19,29H,13-14,17H2,1H3,(H,30,31,32)