sodium 2-[3-oxidanylidene-1-phenyl-2-(phenylmethyl)isoindol-1-yl]oxyethanesulfonate

Systemtic Name: sodium 2-[3-oxidanylidene-1-phenyl-2-(phenylmethyl)isoindol-1-yl]oxyethanesulfonate Openeye Name: sodium 2-(2-benzyl-3-oxo-1-phenyl-isoindolin-1-yl)oxyethanesulfonate CAS Name: sodium 2-[[3-oxo-1-phenyl-2-(phenylmethyl)-1-isoindolyl]oxy]ethanesulfonate IUPAC Name: sodium 2-(2-benzyl-3-oxo-1-phenylisoindol-1-yl)oxyethanesulfonate Traditional Name: sodium 2-(2-benzyl-3-keto-1-phenyl-isoindolin-1-yl)oxyethanesulfonate Formula: C23H20NNaO5S MolecularWeight: 445.46337

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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-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C2(C4=CC=CC=C4)OCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C23H21NO5S.Na/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);/q;+1/p-1