(2-iodanylphenyl) 2-ethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyridine-6-carboxylate

Systemtic Name: (2-iodanylphenyl) 2-ethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyridine-6-carboxylate Openeye Name: (2-iodophenyl) 2-ethoxy-1-(p-tolylsulfonyl)-3,4-dihydro-2H-pyridine-6-carboxylate CAS Name: 2-ethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyridine-6-carboxylic acid (2-iodophenyl) ester IUPAC Name: (2-iodophenyl) 2-ethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyridine-6-carboxylate Traditional Name: 2-ethoxy-1-tosyl-3,4-dihydro-2H-pyridine-6-carboxylic acid (2-iodophenyl) ester Formula: C21H22INO5S MolecularWeight: 527.37255

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CCC=C(N1S(=O)(=O)C2=CC=C(C=C2)C)C(=O)OC3=CC=CC=C3I

Isomeric SMILES

CCOC1CCC=C(N1S(=O)(=O)C2=CC=C(C=C2)C)C(=O)OC3=CC=CC=C3I

InChI

InChI=1S/C21H22INO5S/c1-3-27-20-10-6-8-18(21(24)28-19-9-5-4-7-17(19)22)23(20)29(25,26)16-13-11-15(2)12-14-16/h4-5,7-9,11-14,20H,3,6,10H2,1-2H3