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

Systemtic Name: (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfonyl-butanoic acid Openeye Name: (2S)-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfonyl-butanoic acid CAS Name: (2S)-2-(1,3-dioxo-2-isoindolyl)-4-methylsulfonylbutanoic acid IUPAC Name: (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfonylbutanoic acid Traditional Name: (2S)-4-mesyl-2-phthalimido-butyric acid Formula: C13H13NO6S MolecularWeight: 311.31042

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)O)N1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)O)N1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C13H13NO6S/c1-21(19,20)7-6-10(13(17)18)14-11(15)8-4-2-3-5-9(8)12(14)16/h2-5,10H,6-7H2,1H3,(H,17,18)/t10-/m0/s1