sodium 4-[(E)-2-[4-(2,3-dihydro-1H-isoindol-1-yl)phenyl]ethenyl]benzenesulfonate

Systemtic Name: sodium 4-[(E)-2-[4-(2,3-dihydro-1H-isoindol-1-yl)phenyl]ethenyl]benzenesulfonate Openeye Name: sodium 4-[(E)-2-(4-isoindolin-1-ylphenyl)vinyl]benzenesulfonate CAS Name: sodium 4-[(E)-2-[4-(2,3-dihydro-1H-isoindol-1-yl)phenyl]ethenyl]benzenesulfonate IUPAC Name: sodium 4-[(E)-2-[4-(2,3-dihydro-1H-isoindol-1-yl)phenyl]ethenyl]benzenesulfonate Traditional Name: sodium 4-[(E)-2-(4-isoindolin-1-ylphenyl)vinyl]besylate Formula: C22H18NNaO3S MolecularWeight: 399.43799

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(N1)C3=CC=C(C=C3)C=CC4=CC=C(C=C4)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1C2=CC=CC=C2C(N1)C3=CC=C(C=C3)/C=C/C4=CC=C(C=C4)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C22H19NO3S.Na/c24-27(25,26)20-13-9-17(10-14-20)6-5-16-7-11-18(12-8-16)22-21-4-2-1-3-19(21)15-23-22;/h1-14,22-23H,15H2,(H,24,25,26);/q;+1/p-1/b6-5+;