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

Systemtic Name: tert-butyl [4-[3-azanylidene-6-(dimethylamino)-5-(methylcarbamoyl)-1H-isoindol-2-yl]-2-ethanoyl-phenyl]methanesulfonate hydrobromide Openeye Name: tert-butyl [2-acetyl-4-[5-(dimethylamino)-1-imino-6-(methylcarbamoyl)isoindolin-2-yl]phenyl]methanesulfonate hydrobromide CAS Name: [2-acetyl-4-[6-(dimethylamino)-3-imino-5-(methylcarbamoyl)-1H-isoindol-2-yl]phenyl]methanesulfonic acid tert-butyl ester hydrobromide IUPAC Name: tert-butyl [2-acetyl-4-[6-(dimethylamino)-3-imino-5-(methylcarbamoyl)-1H-isoindol-2-yl]phenyl]methanesulfonate hydrobromide Traditional Name: [2-acetyl-4-[5-(dimethylamino)-1-imino-6-(methylcarbamoyl)isoindolin-2-yl]phenyl]methanesulfonic acid tert-butyl ester hydrobromide Formula: C25H33BrN4O5S MolecularWeight: 581.52232

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1)N2CC3=CC(=C(C=C3C2=N)C(=O)NC)N(C)C)CS(=O)(=O)OC(C)(C)C.Br

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1)N2CC3=CC(=C(C=C3C2=N)C(=O)NC)N(C)C)CS(=O)(=O)OC(C)(C)C.Br

InChI

InChI=1S/C25H32N4O5S.BrH/c1-15(30)19-11-18(9-8-16(19)14-35(32,33)34-25(2,3)4)29-13-17-10-22(28(6)7)21(24(31)27-5)12-20(17)23(29)26;/h8-12,26H,13-14H2,1-7H3,(H,27,31);1H