1,3-benzodioxol-5-yl (2R)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfonyl-butanoate

Systemtic Name: 1,3-benzodioxol-5-yl (2R)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfonyl-butanoate Openeye Name: 1,3-benzodioxol-5-yl (2R)-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfonyl-butanoate CAS Name: (2R)-2-(1,3-dioxo-2-isoindolyl)-4-methylsulfonylbutanoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl (2R)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfonylbutanoate Traditional Name: (2R)-4-mesyl-2-phthalimido-butyric acid 1,3-benzodioxol-5-yl ester Formula: C20H17NO8S MolecularWeight: 431.41588

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)OC1=CC2=C(C=C1)OCO2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CS(=O)(=O)CC[C@H](C(=O)OC1=CC2=C(C=C1)OCO2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H17NO8S/c1-30(25,26)9-8-15(21-18(22)13-4-2-3-5-14(13)19(21)23)20(24)29-12-6-7-16-17(10-12)28-11-27-16/h2-7,10,15H,8-9,11H2,1H3/t15-/m1/s1