7-[4-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-5-yl]-N-(4-phenoxyphenyl)quinolin-4-amine

Systemtic Name: 7-[4-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-5-yl]-N-(4-phenoxyphenyl)quinolin-4-amine Openeye Name: 7-[4-[(2-methylsulfonylethylamino)methyl]thiazol-5-yl]-N-(4-phenoxyphenyl)quinolin-4-amine CAS Name: 7-[4-[(2-methylsulfonylethylamino)methyl]-5-thiazolyl]-N-(4-phenoxyphenyl)-4-quinolinamine IUPAC Name: 7-[4-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-5-yl]-N-(4-phenoxyphenyl)quinolin-4-amine Traditional Name: 2-mesylethyl-[[5-[4-(4-phenoxyanilino)-7-quinolyl]thiazol-4-yl]methyl]amine Formula: C28H26N4O3S2 MolecularWeight: 530.66104

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCNCC1=C(SC=N1)C2=CC3=NC=CC(=C3C=C2)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)CCNCC1=C(SC=N1)C2=CC3=NC=CC(=C3C=C2)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C28H26N4O3S2/c1-37(33,34)16-15-29-18-27-28(36-19-31-27)20-7-12-24-25(13-14-30-26(24)17-20)32-21-8-10-23(11-9-21)35-22-5-3-2-4-6-22/h2-14,17,19,29H,15-16,18H2,1H3,(H,30,32)