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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)pentanamide Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-3-methyl-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)pentanamide CAS Name: 2-(1,3-dioxo-2-isoindolyl)-3-methyl-N-[6-(1-pyrrolidinylsulfonyl)-1,3-benzothiazol-2-yl]pentanamide IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)pentanamide Traditional Name: 3-methyl-2-phthalimido-N-(6-pyrrolidinosulfonyl-1,3-benzothiazol-2-yl)valeramide Formula: C25H26N4O5S2 MolecularWeight: 526.62774

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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)N3CCCC3)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)N3CCCC3)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H26N4O5S2/c1-3-15(2)21(29-23(31)17-8-4-5-9-18(17)24(29)32)22(30)27-25-26-19-11-10-16(14-20(19)35-25)36(33,34)28-12-6-7-13-28/h4-5,8-11,14-15,21H,3,6-7,12-13H2,1-2H3,(H,26,27,30)