6-[5-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)quinolin-4-amine

Systemtic Name: 6-[5-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)quinolin-4-amine Openeye Name: 6-[5-[(2-methylsulfonylethylamino)methyl]thiazol-4-yl]-N-(4-phenoxyphenyl)quinolin-4-amine CAS Name: 6-[5-[(2-methylsulfonylethylamino)methyl]-4-thiazolyl]-N-(4-phenoxyphenyl)-4-quinolinamine IUPAC Name: 6-[5-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)quinolin-4-amine Traditional Name: 2-mesylethyl-[[4-[4-(4-phenoxyanilino)-6-quinolyl]thiazol-5-yl]methyl]amine Formula: C28H26N4O3S2 MolecularWeight: 530.66104

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCNCC1=C(N=CS1)C2=CC3=C(C=CN=C3C=C2)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)CCNCC1=C(N=CS1)C2=CC3=C(C=CN=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(31-19-36-27)20-7-12-25-24(17-20)26(13-14-30-25)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)