2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)pentanamide

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)pentanamide Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-3-methyl-N-(6-morpholinosulfonyl-1,3-benzothiazol-2-yl)pentanamide CAS Name: 2-(1,3-dioxo-2-isoindolyl)-3-methyl-N-[6-(4-morpholinylsulfonyl)-1,3-benzothiazol-2-yl]pentanamide IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)pentanamide Traditional Name: 3-methyl-N-(6-morpholinosulfonyl-1,3-benzothiazol-2-yl)-2-phthalimido-valeramide Formula: C25H26N4O6S2 MolecularWeight: 542.62714

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N3CCOCC3)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CCC(C)C(C(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N3CCOCC3)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H26N4O6S2/c1-3-15(2)21(29-23(31)17-6-4-5-7-18(17)24(29)32)22(30)27-25-26-19-9-8-16(14-20(19)36-25)37(33,34)28-10-12-35-13-11-28/h4-9,14-15,21H,3,10-13H2,1-2H3,(H,26,27,30)