[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]methanesulfonic acid

Systemtic Name: [3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]methanesulfonic acid Openeye Name: [3-(1,3-dioxoisoindolin-2-yl)propanoylamino]methanesulfonic acid CAS Name: [[3-(1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]methanesulfonic acid IUPAC Name: [3-(1,3-dioxoisoindol-2-yl)propanoylamino]methanesulfonic acid Traditional Name: (3-phthalimidopropanoylamino)methanesulfonic acid Formula: C12H12N2O6S MolecularWeight: 312.29848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)NCS(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)NCS(=O)(=O)O

InChI

InChI=1S/C12H12N2O6S/c15-10(13-7-21(18,19)20)5-6-14-11(16)8-3-1-2-4-9(8)12(14)17/h1-4H,5-7H2,(H,13,15)(H,18,19,20)