2-[2-[4-(3-oxidanylidene-1H-isoindol-2-yl)phenyl]propanoylamino]ethanesulfonic acid

Systemtic Name: 2-[2-[4-(3-oxidanylidene-1H-isoindol-2-yl)phenyl]propanoylamino]ethanesulfonic acid Openeye Name: 2-[2-[4-(1-oxoisoindolin-2-yl)phenyl]propanoylamino]ethanesulfonic acid CAS Name: 2-[[1-oxo-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propyl]amino]ethanesulfonic acid IUPAC Name: 2-[2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanoylamino]ethanesulfonic acid Traditional Name: 2-[2-[4-(1-ketoisoindolin-2-yl)phenyl]propanoylamino]ethanesulfonic acid Formula: C19H20N2O5S MolecularWeight: 388.4375

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O)C(=O)NCCS(=O)(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O)C(=O)NCCS(=O)(=O)O

InChI

InChI=1S/C19H20N2O5S/c1-13(18(22)20-10-11-27(24,25)26)14-6-8-16(9-7-14)21-12-15-4-2-3-5-17(15)19(21)23/h2-9,13H,10-12H2,1H3,(H,20,22)(H,24,25,26)