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

Systemtic Name: [3-(4-azanyl-4-oxidanylidene-butan-2-yl)-2-iodanyl-4-oxidanyl-phenyl] methanesulfonate Openeye Name: [3-(3-amino-1-methyl-3-oxo-propyl)-4-hydroxy-2-iodo-phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-(4-amino-4-oxobutan-2-yl)-4-hydroxy-2-iodophenyl] ester IUPAC Name: [3-(4-amino-4-oxobutan-2-yl)-4-hydroxy-2-iodophenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-(3-amino-3-keto-1-methyl-propyl)-4-hydroxy-2-iodo-phenyl] ester Formula: C11H14INO5S MolecularWeight: 399.20203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14INO5S/c1-6(5-9(13)15)10-7(14)3-4-8(11(10)12)18-19(2,16)17/h3-4,6,14H,5H2,1-2H3,(H2,13,15)