7-[4-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-2-yl]-N-(4-phenylmethoxyphenyl)quinolin-4-amine

Systemtic Name: 7-[4-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-2-yl]-N-(4-phenylmethoxyphenyl)quinolin-4-amine Openeye Name: N-(4-benzyloxyphenyl)-7-[4-[(2-methylsulfonylethylamino)methyl]thiazol-2-yl]quinolin-4-amine CAS Name: 7-[4-[(2-methylsulfonylethylamino)methyl]-2-thiazolyl]-N-(4-phenylmethoxyphenyl)-4-quinolinamine IUPAC Name: 7-[4-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-2-yl]-N-(4-phenylmethoxyphenyl)quinolin-4-amine Traditional Name: [2-[4-(4-benzoxyanilino)-7-quinolyl]thiazol-4-yl]methyl-(2-mesylethyl)amine Formula: C29H28N4O3S2 MolecularWeight: 544.68762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCNCC1=CSC(=N1)C2=CC3=NC=CC(=C3C=C2)NC4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)CCNCC1=CSC(=N1)C2=CC3=NC=CC(=C3C=C2)NC4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C29H28N4O3S2/c1-38(34,35)16-15-30-18-24-20-37-29(33-24)22-7-12-26-27(13-14-31-28(26)17-22)32-23-8-10-25(11-9-23)36-19-21-5-3-2-4-6-21/h2-14,17,20,30H,15-16,18-19H2,1H3,(H,31,32)