2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethylsulfonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethylsulfonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[2-(1,3-dioxoisoindolin-2-yl)ethylsulfonylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[2-(1,3-dioxo-2-isoindolyl)ethylsulfonylamino]-4-(methylthio)butanoic acid IUPAC Name: 2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonylamino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-(2-phthalimidoethylsulfonylamino)butyric acid Formula: C15H18N2O6S2 MolecularWeight: 386.44322

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NS(=O)(=O)CCN1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CSCCC(C(=O)O)NS(=O)(=O)CCN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C15H18N2O6S2/c1-24-8-6-12(15(20)21)16-25(22,23)9-7-17-13(18)10-4-2-3-5-11(10)14(17)19/h2-5,12,16H,6-9H2,1H3,(H,20,21)