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

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-(1,3-dioxo-2-isoindolyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-4-phthalimido-butyramide Formula: C20H17N3O5S2 MolecularWeight: 443.49608

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H17N3O5S2/c1-30(27,28)12-8-9-15-16(11-12)29-20(21-15)22-17(24)7-4-10-23-18(25)13-5-2-3-6-14(13)19(23)26/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,21,22,24)