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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)-4-methylsulfonyl-butanamide Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)-4-methylsulfonyl-butanamide CAS Name: 2-(1,3-dioxo-2-isoindolyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-4-methylsulfonylbutanamide IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)-4-methylsulfonylbutanamide Traditional Name: 4-mesyl-N-(4-methyl-1,3-benzothiazol-2-yl)-2-phthalimido-butyramide Formula: C21H19N3O5S2 MolecularWeight: 457.52266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O5S2/c1-12-6-5-9-16-17(12)22-21(30-16)23-18(25)15(10-11-31(2,28)29)24-19(26)13-7-3-4-8-14(13)20(24)27/h3-9,15H,10-11H2,1-2H3,(H,22,23,25)