[3-(4-azanyl-4-oxidanylidene-butan-2-yl)-2-iodanyl-4-prop-2-enoxy-phenyl] methanesulfonate

Systemtic Name: [3-(4-azanyl-4-oxidanylidene-butan-2-yl)-2-iodanyl-4-prop-2-enoxy-phenyl] methanesulfonate Openeye Name: [4-allyloxy-3-(3-amino-1-methyl-3-oxo-propyl)-2-iodo-phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-(4-amino-4-oxobutan-2-yl)-2-iodo-4-prop-2-enoxyphenyl] ester IUPAC Name: [3-(4-amino-4-oxobutan-2-yl)-2-iodo-4-prop-2-enoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-allyloxy-3-(3-amino-3-keto-1-methyl-propyl)-2-iodo-phenyl] ester Formula: C14H18INO5S MolecularWeight: 439.26589

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N)C1=C(C=CC(=C1I)OS(=O)(=O)C)OCC=C

Isomeric SMILES

CC(CC(=O)N)C1=C(C=CC(=C1I)OS(=O)(=O)C)OCC=C

InChI

InChI=1S/C14H18INO5S/c1-4-7-20-10-5-6-11(21-22(3,18)19)14(15)13(10)9(2)8-12(16)17/h4-6,9H,1,7-8H2,2-3H3,(H2,16,17)