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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)pentanamide Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-3-methyl-N-[6-(1-piperidylsulfonyl)-1,3-benzothiazol-2-yl]pentanamide CAS Name: 2-(1,3-dioxo-2-isoindolyl)-3-methyl-N-[6-(1-piperidinylsulfonyl)-1,3-benzothiazol-2-yl]pentanamide IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)pentanamide Traditional Name: 3-methyl-2-phthalimido-N-(6-piperidinosulfonyl-1,3-benzothiazol-2-yl)valeramide Formula: C26H28N4O5S2 MolecularWeight: 540.65432

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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)N3CCCCC3)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)N3CCCCC3)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C26H28N4O5S2/c1-3-16(2)22(30-24(32)18-9-5-6-10-19(18)25(30)33)23(31)28-26-27-20-12-11-17(15-21(20)36-26)37(34,35)29-13-7-4-8-14-29/h5-6,9-12,15-16,22H,3-4,7-8,13-14H2,1-2H3,(H,27,28,31)