1-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-2-[4-methoxy-3-(2-methylsulfonylethylamino)phenyl]hexan-1-one

Systemtic Name: 1-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-2-[4-methoxy-3-(2-methylsulfonylethylamino)phenyl]hexan-1-one Openeye Name: 1-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-2-[4-methoxy-3-(2-methylsulfonylethylamino)phenyl]hexan-1-one CAS Name: 1-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-2-[4-methoxy-3-(2-methylsulfonylethylamino)phenyl]-1-hexanone IUPAC Name: 1-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-2-[4-methoxy-3-(2-methylsulfonylethylamino)phenyl]hexan-1-one Traditional Name: 1-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-2-[3-(2-mesylethylamino)-4-methoxy-phenyl]hexan-1-one Formula: C28H38FN3O6S MolecularWeight: 563.681223

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC(=C(C=C1)OC)NCCS(=O)(=O)C)C(=O)N2CC3=CC(=C(C(=C3C2=N)F)OCC)OCC

Isomeric SMILES

CCCCC(C1=CC(=C(C=C1)OC)NCCS(=O)(=O)C)C(=O)N2CC3=CC(=C(C(=C3C2=N)F)OCC)OCC

InChI

InChI=1S/C28H38FN3O6S/c1-6-9-10-20(18-11-12-22(36-4)21(15-18)31-13-14-39(5,34)35)28(33)32-17-19-16-23(37-7-2)26(38-8-3)25(29)24(19)27(32)30/h11-12,15-16,20,30-31H,6-10,13-14,17H2,1-5H3