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

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

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

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