tert-butyl 2-azanyl-2-[5-tert-butyl-2-(tert-butylsulfamoyloxy)-3-iodanyl-phenyl]ethanoate

Systemtic Name: tert-butyl 2-azanyl-2-[5-tert-butyl-2-(tert-butylsulfamoyloxy)-3-iodanyl-phenyl]ethanoate Openeye Name: tert-butyl 2-amino-2-[5-tert-butyl-2-(tert-butylsulfamoyloxy)-3-iodo-phenyl]acetate CAS Name: 2-amino-2-[5-tert-butyl-2-(tert-butylsulfamoyloxy)-3-iodophenyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-amino-2-[5-tert-butyl-2-(tert-butylsulfamoyloxy)-3-iodophenyl]acetate Traditional Name: 2-amino-2-[5-tert-butyl-2-(tert-butylsulfamoyloxy)-3-iodo-phenyl]acetic acid tert-butyl ester Formula: C20H33IN2O5S MolecularWeight: 540.45589

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)I)OS(=O)(=O)NC(C)(C)C)C(C(=O)OC(C)(C)C)N

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)I)OS(=O)(=O)NC(C)(C)C)C(C(=O)OC(C)(C)C)N

InChI

InChI=1S/C20H33IN2O5S/c1-18(2,3)12-10-13(15(22)17(24)27-20(7,8)9)16(14(21)11-12)28-29(25,26)23-19(4,5)6/h10-11,15,23H,22H2,1-9H3