7-[4-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-(4-phenoxyphenyl)quinolin-4-amine

Systemtic Name: 7-[4-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-(4-phenoxyphenyl)quinolin-4-amine Openeye Name: 7-[4-[(2-methylsulfonylethylamino)methyl]-2-furyl]-N-(4-phenoxyphenyl)quinolin-4-amine CAS Name: 7-[4-[(2-methylsulfonylethylamino)methyl]-2-furanyl]-N-(4-phenoxyphenyl)-4-quinolinamine IUPAC Name: 7-[4-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-(4-phenoxyphenyl)quinolin-4-amine Traditional Name: 2-mesylethyl-[[5-[4-(4-phenoxyanilino)-7-quinolyl]-3-furyl]methyl]amine Formula: C29H27N3O4S MolecularWeight: 513.60738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCNCC1=COC(=C1)C2=CC3=NC=CC(=C3C=C2)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)CCNCC1=COC(=C1)C2=CC3=NC=CC(=C3C=C2)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C29H27N3O4S/c1-37(33,34)16-15-30-19-21-17-29(35-20-21)22-7-12-26-27(13-14-31-28(26)18-22)32-23-8-10-25(11-9-23)36-24-5-3-2-4-6-24/h2-14,17-18,20,30H,15-16,19H2,1H3,(H,31,32)