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

Systemtic Name: 4-[(E)-2-[4-(2,3-dihydro-1H-isoindol-1-yl)phenyl]ethenyl]benzenesulfonic acid Openeye Name: 4-[(E)-2-(4-isoindolin-1-ylphenyl)vinyl]benzenesulfonic acid CAS Name: 4-[(E)-2-[4-(2,3-dihydro-1H-isoindol-1-yl)phenyl]ethenyl]benzenesulfonic acid IUPAC Name: 4-[(E)-2-[4-(2,3-dihydro-1H-isoindol-1-yl)phenyl]ethenyl]benzenesulfonic acid Traditional Name: 4-[(E)-2-(4-isoindolin-1-ylphenyl)vinyl]besylic acid Formula: C22H19NO3S MolecularWeight: 377.45616

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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

Isomeric SMILES

C1C2=CC=CC=C2C(N1)C3=CC=C(C=C3)/C=C/C4=CC=C(C=C4)S(=O)(=O)O

InChI

InChI=1S/C22H19NO3S/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)/b6-5+