tert-butyl [4-[3-azanylidene-6-ethoxy-5-(methylcarbamoyl)-1H-isoindol-2-yl]-2-ethanoyl-phenyl]methanesulfonate hydrobromide

Systemtic Name: tert-butyl [4-[3-azanylidene-6-ethoxy-5-(methylcarbamoyl)-1H-isoindol-2-yl]-2-ethanoyl-phenyl]methanesulfonate hydrobromide Openeye Name: tert-butyl [2-acetyl-4-[5-ethoxy-1-imino-6-(methylcarbamoyl)isoindolin-2-yl]phenyl]methanesulfonate hydrobromide CAS Name: [2-acetyl-4-[6-ethoxy-3-imino-5-(methylcarbamoyl)-1H-isoindol-2-yl]phenyl]methanesulfonic acid tert-butyl ester hydrobromide IUPAC Name: tert-butyl [2-acetyl-4-[6-ethoxy-3-imino-5-(methylcarbamoyl)-1H-isoindol-2-yl]phenyl]methanesulfonate hydrobromide Traditional Name: [2-acetyl-4-[5-ethoxy-1-imino-6-(methylcarbamoyl)isoindolin-2-yl]phenyl]methanesulfonic acid tert-butyl ester hydrobromide Formula: C25H32BrN3O6S MolecularWeight: 582.50708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O6S.BrH/c1-7-33-22-10-17-13-28(23(26)20(17)12-21(22)24(30)27-6)18-9-8-16(19(11-18)15(2)29)14-35(31,32)34-25(3,4)5;/h8-12,26H,7,13-14H2,1-6H3,(H,27,30);1H