sodium (1R)-1-[4-(3-oxidanylidene-1H-isoindol-2-yl)phenyl]ethanesulfonate

Systemtic Name: sodium (1R)-1-[4-(3-oxidanylidene-1H-isoindol-2-yl)phenyl]ethanesulfonate Openeye Name: sodium (1R)-1-[4-(1-oxoisoindolin-2-yl)phenyl]ethanesulfonate CAS Name: sodium (1R)-1-[4-(3-oxo-1H-isoindol-2-yl)phenyl]ethanesulfonate IUPAC Name: sodium (1R)-1-[4-(3-oxo-1H-isoindol-2-yl)phenyl]ethanesulfonate Traditional Name: sodium (1R)-1-[4-(1-ketoisoindolin-2-yl)phenyl]ethanesulfonate Formula: C16H14NNaO4S MolecularWeight: 339.34143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C16H15NO4S.Na/c1-11(22(19,20)21)12-6-8-14(9-7-12)17-10-13-4-2-3-5-15(13)16(17)18;/h2-9,11H,10H2,1H3,(H,19,20,21);/q;+1/p-1/t11-;/m1./s1