2-(3-oxidanylidene-1H-isoindol-2-yl)-3-(phenylmethyl)sulfonyl-propanoic acid

Systemtic Name: 2-(3-oxidanylidene-1H-isoindol-2-yl)-3-(phenylmethyl)sulfonyl-propanoic acid Openeye Name: 3-benzylsulfonyl-2-(1-oxoisoindolin-2-yl)propanoic acid CAS Name: 2-(3-oxo-1H-isoindol-2-yl)-3-(phenylmethyl)sulfonylpropanoic acid IUPAC Name: 3-benzylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)propanoic acid Traditional Name: 3-benzylsulfonyl-2-(1-ketoisoindolin-2-yl)propionic acid Formula: C18H17NO5S MolecularWeight: 359.39628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N1C(CS(=O)(=O)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N1C(CS(=O)(=O)CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H17NO5S/c20-17-15-9-5-4-8-14(15)10-19(17)16(18(21)22)12-25(23,24)11-13-6-2-1-3-7-13/h1-9,16H,10-12H2,(H,21,22)