2-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]-4-methylsulfonyl-butanoic acid Openeye Name: 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-4-methylsulfonyl-butanoic acid CAS Name: 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-4-methylsulfonylbutanoic acid IUPAC Name: 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-4-methylsulfonylbutanoic acid Traditional Name: 2-(1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl)-4-mesyl-butyric acid Formula: C13H17NO6S MolecularWeight: 315.34218

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)O)N1C(=O)C2CC=CCC2C1=O

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)O)N1C(=O)C2CC=CCC2C1=O

InChI

InChI=1S/C13H17NO6S/c1-21(19,20)7-6-10(13(17)18)14-11(15)8-4-2-3-5-9(8)12(14)16/h2-3,8-10H,4-7H2,1H3,(H,17,18)