(3-iodanylphenyl) 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate

Systemtic Name: (3-iodanylphenyl) 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate Openeye Name: (3-iodophenyl) 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinecarboxylic acid (3-iodophenyl) ester IUPAC Name: (3-iodophenyl) 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)isonipecotic acid (3-iodophenyl) ester Formula: C20H20INO6S MolecularWeight: 529.34537

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OC2=CC(=CC=C2)I)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCC1C(=O)OC2=CC(=CC=C2)I)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H20INO6S/c21-15-2-1-3-16(12-15)28-20(23)14-6-8-22(9-7-14)29(24,25)17-4-5-18-19(13-17)27-11-10-26-18/h1-5,12-14H,6-11H2