tert-butyl [4-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-2-(dimethylamino)-6-ethanoyl-phenyl]methanesulfonate hydrobromide

Systemtic Name: tert-butyl [4-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-2-(dimethylamino)-6-ethanoyl-phenyl]methanesulfonate hydrobromide Openeye Name: tert-butyl [2-acetyl-4-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-6-(dimethylamino)phenyl]methanesulfonate hydrobromide CAS Name: [2-acetyl-4-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-6-(dimethylamino)phenyl]methanesulfonic acid tert-butyl ester hydrobromide IUPAC Name: tert-butyl [2-acetyl-4-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-6-(dimethylamino)phenyl]methanesulfonate hydrobromide Traditional Name: [2-acetyl-4-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-6-(dimethylamino)phenyl]methanesulfonic acid tert-butyl ester hydrobromide Formula: C27H37BrFN3O6S MolecularWeight: 630.566583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C2C(=C1)CN(C2=N)C3=CC(=C(C(=C3)C(=O)C)CS(=O)(=O)OC(C)(C)C)N(C)C)F)OCC.Br

Isomeric SMILES

CCOC1=C(C(=C2C(=C1)CN(C2=N)C3=CC(=C(C(=C3)C(=O)C)CS(=O)(=O)OC(C)(C)C)N(C)C)F)OCC.Br

InChI

InChI=1S/C27H36FN3O6S.BrH/c1-9-35-22-11-17-14-31(26(29)23(17)24(28)25(22)36-10-2)18-12-19(16(3)32)20(21(13-18)30(7)8)15-38(33,34)37-27(4,5)6;/h11-13,29H,9-10,14-15H2,1-8H3;1H