2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methylsulfonyl-butanamide

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methylsulfonyl-butanamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfonyl-butanamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxo-2-isoindolyl)-4-methylsulfonylbutanamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfonylbutanamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-mesyl-2-phthalimido-butyramide Formula: C22H21N3O5S2 MolecularWeight: 471.54924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C(CCS(=O)(=O)C)N3C(=O)C4=CC=CC=C4C3=O)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C(CCS(=O)(=O)C)N3C(=O)C4=CC=CC=C4C3=O)C

InChI

InChI=1S/C22H21N3O5S2/c1-12-10-13(2)18-17(11-12)31-22(23-18)24-19(26)16(8-9-32(3,29)30)25-20(27)14-6-4-5-7-15(14)21(25)28/h4-7,10-11,16H,8-9H2,1-3H3,(H,23,24,26)