[2-[3-azanylidene-6-ethoxy-5-(methylcarbamoyl)-1H-isoindol-2-yl]phenyl] 2,2-dimethyl-4-oxidanylidene-pentane-3-sulfonate hydrobromide

Systemtic Name: [2-[3-azanylidene-6-ethoxy-5-(methylcarbamoyl)-1H-isoindol-2-yl]phenyl] 2,2-dimethyl-4-oxidanylidene-pentane-3-sulfonate hydrobromide Openeye Name: [2-[5-ethoxy-1-imino-6-(methylcarbamoyl)isoindolin-2-yl]phenyl] 2,2-dimethyl-4-oxo-pentane-3-sulfonate hydrobromide CAS Name: 2,2-dimethyl-4-oxo-3-pentanesulfonic acid hydrobromide IUPAC Name: [2-[6-ethoxy-3-imino-5-(methylcarbamoyl)-1H-isoindol-2-yl]phenyl] 2,2-dimethyl-4-oxopentane-3-sulfonate hydrobromide Traditional Name: 4-keto-2,2-dimethyl-pentane-3-sulfonic acid [2-[5-ethoxy-1-imino-6-(methylcarbamoyl)isoindolin-2-yl]phenyl] 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=CC=C3OS(=O)(=O)C(C(=O)C)C(C)(C)C)C(=O)NC.Br

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CN(C2=N)C3=CC=CC=C3OS(=O)(=O)C(C(=O)C)C(C)(C)C)C(=O)NC.Br

InChI

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