methyl 2-[(2-iodanylphenyl)-methylsulfonyl-amino]cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl 2-[(2-iodanylphenyl)-methylsulfonyl-amino]cyclohex-3-ene-1-carboxylate Openeye Name: methyl 2-(2-iodo-N-methylsulfonyl-anilino)cyclohex-3-ene-1-carboxylate CAS Name: 2-(2-iodo-N-methylsulfonylanilino)-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-iodo-N-methylsulfonylanilino)cyclohex-3-ene-1-carboxylate Traditional Name: 2-(2-iodo-N-mesyl-anilino)cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C15H18INO4S MolecularWeight: 435.27719

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC=CC1N(C2=CC=CC=C2I)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1CCC=CC1N(C2=CC=CC=C2I)S(=O)(=O)C

InChI

InChI=1S/C15H18INO4S/c1-21-15(18)11-7-3-5-9-13(11)17(22(2,19)20)14-10-6-4-8-12(14)16/h4-6,8-11,13H,3,7H2,1-2H3