1-[3-[2,3-bis(oxidanyl)propyl]-4-[(2-iodanylphenyl)-methylsulfonyl-amino]cyclohex-2-en-1-yl]ethyl methanesulfonate

Systemtic Name: 1-[3-[2,3-bis(oxidanyl)propyl]-4-[(2-iodanylphenyl)-methylsulfonyl-amino]cyclohex-2-en-1-yl]ethyl methanesulfonate Openeye Name: 1-[3-(2,3-dihydroxypropyl)-4-(2-iodo-N-methylsulfonyl-anilino)cyclohex-2-en-1-yl]ethyl methanesulfonate CAS Name: methanesulfonic acid 1-[3-(2,3-dihydroxypropyl)-4-(2-iodo-N-methylsulfonylanilino)-1-cyclohex-2-enyl]ethyl ester IUPAC Name: 1-[3-(2,3-dihydroxypropyl)-4-(2-iodo-N-methylsulfonylanilino)cyclohex-2-en-1-yl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 1-[3-glyceryl-4-(2-iodo-N-mesyl-anilino)cyclohex-2-en-1-yl]ethyl ester Formula: C19H28INO7S2 MolecularWeight: 573.46259

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCC(C(=C1)CC(CO)O)N(C2=CC=CC=C2I)S(=O)(=O)C)OS(=O)(=O)C

Isomeric SMILES

CC(C1CCC(C(=C1)CC(CO)O)N(C2=CC=CC=C2I)S(=O)(=O)C)OS(=O)(=O)C

InChI

InChI=1S/C19H28INO7S2/c1-13(28-30(3,26)27)14-8-9-18(15(10-14)11-16(23)12-22)21(29(2,24)25)19-7-5-4-6-17(19)20/h4-7,10,13-14,16,18,22-23H,8-9,11-12H2,1-3H3