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

Systemtic Name: tert-butyl 2-azanyl-2-[5-tert-butyl-3-iodanyl-2-(phenylsulfamoyloxy)phenyl]ethanoate Openeye Name: tert-butyl 2-amino-2-[5-tert-butyl-3-iodo-2-(phenylsulfamoyloxy)phenyl]acetate CAS Name: 2-amino-2-[5-tert-butyl-3-iodo-2-(phenylsulfamoyloxy)phenyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-amino-2-[5-tert-butyl-3-iodo-2-(phenylsulfamoyloxy)phenyl]acetate Traditional Name: 2-amino-2-[5-tert-butyl-3-iodo-2-(phenylsulfamoyloxy)phenyl]acetic acid tert-butyl ester Formula: C22H29IN2O5S MolecularWeight: 560.44553

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)I)OS(=O)(=O)NC2=CC=CC=C2)C(C(=O)OC(C)(C)C)N

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)I)OS(=O)(=O)NC2=CC=CC=C2)C(C(=O)OC(C)(C)C)N

InChI

InChI=1S/C22H29IN2O5S/c1-21(2,3)14-12-16(18(24)20(26)29-22(4,5)6)19(17(23)13-14)30-31(27,28)25-15-10-8-7-9-11-15/h7-13,18,25H,24H2,1-6H3