2-[3-oxidanylidene-1-phenyl-2-(phenylmethyl)isoindol-1-yl]oxyethanesulfonic acid

Systemtic Name: 2-[3-oxidanylidene-1-phenyl-2-(phenylmethyl)isoindol-1-yl]oxyethanesulfonic acid Openeye Name: 2-(2-benzyl-3-oxo-1-phenyl-isoindolin-1-yl)oxyethanesulfonic acid CAS Name: 2-[[3-oxo-1-phenyl-2-(phenylmethyl)-1-isoindolyl]oxy]ethanesulfonic acid IUPAC Name: 2-(2-benzyl-3-oxo-1-phenylisoindol-1-yl)oxyethanesulfonic acid Traditional Name: 2-(2-benzyl-3-keto-1-phenyl-isoindolin-1-yl)oxyethanesulfonic acid Formula: C23H21NO5S MolecularWeight: 423.48154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C2(C4=CC=CC=C4)OCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C2(C4=CC=CC=C4)OCCS(=O)(=O)O

InChI

InChI=1S/C23H21NO5S/c25-22-20-13-7-8-14-21(20)23(19-11-5-2-6-12-19,29-15-16-30(26,27)28)24(22)17-18-9-3-1-4-10-18/h1-14H,15-17H2,(H,26,27,28)