2-[(E)-2-[2-(2,3-dihydro-1H-isoindol-4-yloxysulfonyl)phenyl]ethenyl]-5-methoxy-benzenesulfonic acid

Systemtic Name: 2-[(E)-2-[2-(2,3-dihydro-1H-isoindol-4-yloxysulfonyl)phenyl]ethenyl]-5-methoxy-benzenesulfonic acid Openeye Name: 2-[(E)-2-(2-isoindolin-4-yloxysulfonylphenyl)vinyl]-5-methoxy-benzenesulfonic acid CAS Name: 2-[(E)-2-[2-(2,3-dihydro-1H-isoindol-4-yloxysulfonyl)phenyl]ethenyl]-5-methoxybenzenesulfonic acid IUPAC Name: 2-[(E)-2-[2-(2,3-dihydro-1H-isoindol-4-yloxysulfonyl)phenyl]ethenyl]-5-methoxybenzenesulfonic acid Traditional Name: 2-[(E)-2-(2-isoindolin-4-yloxysulfonylphenyl)vinyl]-5-methoxy-besylic acid Formula: C23H21NO7S2 MolecularWeight: 487.54534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C=CC2=CC=CC=C2S(=O)(=O)OC3=CC=CC4=C3CNC4)S(=O)(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)/C=C/C2=CC=CC=C2S(=O)(=O)OC3=CC=CC4=C3CNC4)S(=O)(=O)O

InChI

InChI=1S/C23H21NO7S2/c1-30-19-12-11-17(23(13-19)32(25,26)27)10-9-16-5-2-3-8-22(16)33(28,29)31-21-7-4-6-18-14-24-15-20(18)21/h2-13,24H,14-15H2,1H3,(H,25,26,27)/b10-9+