1-[3-(2-hydroxyethyl)-4-[(2-iodanylphenyl)-methylsulfonyl-amino]cyclohex-2-en-1-yl]ethyl methanesulfonate

Systemtic Name: 1-[3-(2-hydroxyethyl)-4-[(2-iodanylphenyl)-methylsulfonyl-amino]cyclohex-2-en-1-yl]ethyl methanesulfonate Openeye Name: 1-[3-(2-hydroxyethyl)-4-(2-iodo-N-methylsulfonyl-anilino)cyclohex-2-en-1-yl]ethyl methanesulfonate CAS Name: methanesulfonic acid 1-[3-(2-hydroxyethyl)-4-(2-iodo-N-methylsulfonylanilino)-1-cyclohex-2-enyl]ethyl ester IUPAC Name: 1-[3-(2-hydroxyethyl)-4-(2-iodo-N-methylsulfonylanilino)cyclohex-2-en-1-yl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 1-[3-(2-hydroxyethyl)-4-(2-iodo-N-mesyl-anilino)cyclohex-2-en-1-yl]ethyl ester Formula: C18H26INO6S2 MolecularWeight: 543.43661

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26INO6S2/c1-13(26-28(3,24)25)14-8-9-17(15(12-14)10-11-21)20(27(2,22)23)18-7-5-4-6-16(18)19/h4-7,12-14,17,21H,8-11H2,1-3H3