7-[3-[(2-methylsulfonylethylamino)methyl]phenyl]-N-(4-phenoxyphenyl)quinolin-4-amine

Systemtic Name: 7-[3-[(2-methylsulfonylethylamino)methyl]phenyl]-N-(4-phenoxyphenyl)quinolin-4-amine Openeye Name: 7-[3-[(2-methylsulfonylethylamino)methyl]phenyl]-N-(4-phenoxyphenyl)quinolin-4-amine CAS Name: 7-[3-[(2-methylsulfonylethylamino)methyl]phenyl]-N-(4-phenoxyphenyl)-4-quinolinamine IUPAC Name: 7-[3-[(2-methylsulfonylethylamino)methyl]phenyl]-N-(4-phenoxyphenyl)quinolin-4-amine Traditional Name: 2-mesylethyl-[3-[4-(4-phenoxyanilino)-7-quinolyl]benzyl]amine Formula: C31H29N3O3S MolecularWeight: 523.64526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H29N3O3S/c1-38(35,36)19-18-32-22-23-6-5-7-24(20-23)25-10-15-29-30(16-17-33-31(29)21-25)34-26-11-13-28(14-12-26)37-27-8-3-2-4-9-27/h2-17,20-21,32H,18-19,22H2,1H3,(H,33,34)