2-[(3E)-3-ethylidene-6-[(2-iodanylphenyl)-methylsulfonyl-amino]cyclohexen-1-yl]ethyl methanesulfonate

Systemtic Name: 2-[(3E)-3-ethylidene-6-[(2-iodanylphenyl)-methylsulfonyl-amino]cyclohexen-1-yl]ethyl methanesulfonate Openeye Name: 2-[(3E)-3-ethylidene-6-(2-iodo-N-methylsulfonyl-anilino)cyclohexen-1-yl]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[(3E)-3-ethylidene-6-(2-iodo-N-methylsulfonylanilino)-1-cyclohexenyl]ethyl ester IUPAC Name: 2-[(3E)-3-ethylidene-6-(2-iodo-N-methylsulfonylanilino)cyclohexen-1-yl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[(3E)-3-ethylidene-6-(2-iodo-N-mesyl-anilino)cyclohexen-1-yl]ethyl ester Formula: C18H24INO5S2 MolecularWeight: 525.42133

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C=C/1\CCC(C(=C1)CCOS(=O)(=O)C)N(C2=CC=CC=C2I)S(=O)(=O)C

InChI

InChI=1S/C18H24INO5S2/c1-4-14-9-10-17(15(13-14)11-12-25-27(3,23)24)20(26(2,21)22)18-8-6-5-7-16(18)19/h4-8,13,17H,9-12H2,1-3H3/b14-4+