7-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-(4-phenoxyphenyl)quinolin-4-amine

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

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=NC=CC(=C3C=C2)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=NC=CC(=C3C=C2)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

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