ethyl 4-[(3E)-3-(phenylsulfonylimino)-1H-isoindol-2-yl]benzoate

Systemtic Name: ethyl 4-[(3E)-3-(phenylsulfonylimino)-1H-isoindol-2-yl]benzoate Openeye Name: ethyl 4-[(1E)-1-(benzenesulfonylimino)isoindolin-2-yl]benzoate CAS Name: 4-[(3E)-3-(benzenesulfonylimino)-1H-isoindol-2-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3E)-3-(benzenesulfonylimino)-1H-isoindol-2-yl]benzoate Traditional Name: 4-[(1E)-1-besyliminoisoindolin-2-yl]benzoic acid ethyl ester Formula: C23H20N2O4S MolecularWeight: 420.4809

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N\2CC3=CC=CC=C3/C2=N\S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H20N2O4S/c1-2-29-23(26)17-12-14-19(15-13-17)25-16-18-8-6-7-11-21(18)22(25)24-30(27,28)20-9-4-3-5-10-20/h3-15H,2,16H2,1H3/b24-22+