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

Systemtic Name: [2-[3-azanylidene-6-(dimethylamino)-5-(methylcarbamoyl)-1H-isoindol-2-yl]phenyl] 2,2-dimethyl-4-oxidanylidene-pentane-3-sulfonate Openeye Name: [2-[5-(dimethylamino)-1-imino-6-(methylcarbamoyl)isoindolin-2-yl]phenyl] 2,2-dimethyl-4-oxo-pentane-3-sulfonate CAS Name: 2,2-dimethyl-4-oxo-3-pentanesulfonic acid IUPAC Name: [2-[6-(dimethylamino)-3-imino-5-(methylcarbamoyl)-1H-isoindol-2-yl]phenyl] 2,2-dimethyl-4-oxopentane-3-sulfonate Traditional Name: 4-keto-2,2-dimethyl-pentane-3-sulfonic acid [2-[5-(dimethylamino)-1-imino-6-(methylcarbamoyl)isoindolin-2-yl]phenyl] ester Formula: C25H32N4O5S MolecularWeight: 500.61038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(C)(C)C)S(=O)(=O)OC1=CC=CC=C1N2CC3=CC(=C(C=C3C2=N)C(=O)NC)N(C)C

Isomeric SMILES

CC(=O)C(C(C)(C)C)S(=O)(=O)OC1=CC=CC=C1N2CC3=CC(=C(C=C3C2=N)C(=O)NC)N(C)C

InChI

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