1-[3-fluoranyl-4-(hexadecylamino)phenyl]-2-(phenylsulfinyl)ethanone

Systemtic Name: 1-[3-fluoranyl-4-(hexadecylamino)phenyl]-2-(phenylsulfinyl)ethanone Openeye Name: 2-(benzenesulfinyl)-1-[3-fluoro-4-(hexadecylamino)phenyl]ethanone CAS Name: 2-(benzenesulfinyl)-1-[3-fluoro-4-(hexadecylamino)phenyl]ethanone IUPAC Name: 2-(benzenesulfinyl)-1-[3-fluoro-4-(hexadecylamino)phenyl]ethanone Traditional Name: 2-(benzenesulfinyl)-1-[4-(cetylamino)-3-fluoro-phenyl]ethanone Formula: C30H44FNO2S MolecularWeight: 501.739263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=C(C=C(C=C1)C(=O)CS(=O)C2=CC=CC=C2)F

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=C(C=C(C=C1)C(=O)CS(=O)C2=CC=CC=C2)F

InChI

InChI=1S/C30H44FNO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-32-29-22-21-26(24-28(29)31)30(33)25-35(34)27-19-16-15-17-20-27/h15-17,19-22,24,32H,2-14,18,23,25H2,1H3