ethyl 4-[3-(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)carbonylimino-1H-isoindol-2-yl]benzoate

Systemtic Name: ethyl 4-[3-(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)carbonylimino-1H-isoindol-2-yl]benzoate Openeye Name: ethyl 4-[1-(4-fluoro-3-morpholinosulfonyl-benzoyl)iminoisoindolin-2-yl]benzoate CAS Name: 4-[3-[[4-fluoro-3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]imino-1H-isoindol-2-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)imino-1H-isoindol-2-yl]benzoate Traditional Name: 4-[1-(4-fluoro-3-morpholinosulfonyl-benzoyl)iminoisoindolin-2-yl]benzoic acid ethyl ester Formula: C28H26FN3O6S MolecularWeight: 551.585943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=NC(=O)C4=CC(=C(C=C4)F)S(=O)(=O)N5CCOCC5

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=NC(=O)C4=CC(=C(C=C4)F)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C28H26FN3O6S/c1-2-38-28(34)19-7-10-22(11-8-19)32-18-21-5-3-4-6-23(21)26(32)30-27(33)20-9-12-24(29)25(17-20)39(35,36)31-13-15-37-16-14-31/h3-12,17H,2,13-16,18H2,1H3