2-[[2-fluoranyl-3-(4-methylphenyl)sulfonyl-phenyl]amino]-N-(2-pyridin-2-ylsulfanylethyl)ethanamide

Systemtic Name: 2-[[2-fluoranyl-3-(4-methylphenyl)sulfonyl-phenyl]amino]-N-(2-pyridin-2-ylsulfanylethyl)ethanamide Openeye Name: 2-[2-fluoro-3-(p-tolylsulfonyl)anilino]-N-[2-(2-pyridylsulfanyl)ethyl]acetamide CAS Name: 2-[2-fluoro-3-(4-methylphenyl)sulfonylanilino]-N-[2-(2-pyridinylthio)ethyl]acetamide IUPAC Name: 2-[2-fluoro-3-(4-methylphenyl)sulfonylanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide Traditional Name: 2-(2-fluoro-3-tosyl-anilino)-N-[2-(2-pyridylthio)ethyl]acetamide Formula: C22H22FN3O3S2 MolecularWeight: 459.556783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC(=C2F)NCC(=O)NCCSC3=CC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC(=C2F)NCC(=O)NCCSC3=CC=CC=N3

InChI

InChI=1S/C22H22FN3O3S2/c1-16-8-10-17(11-9-16)31(28,29)19-6-4-5-18(22(19)23)26-15-20(27)24-13-14-30-21-7-2-3-12-25-21/h2-12,26H,13-15H2,1H3,(H,24,27)