tert-butyl 2-azanyl-4-ethyl-3-iodanyl-5-phenyl-6-sulfamoyl-benzoate

Systemtic Name: tert-butyl 2-azanyl-4-ethyl-3-iodanyl-5-phenyl-6-sulfamoyl-benzoate Openeye Name: tert-butyl 2-amino-4-ethyl-3-iodo-5-phenyl-6-sulfamoyl-benzoate CAS Name: 2-amino-4-ethyl-3-iodo-5-phenyl-6-sulfamoylbenzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-amino-4-ethyl-3-iodo-5-phenyl-6-sulfamoylbenzoate Traditional Name: 2-amino-4-ethyl-3-iodo-5-phenyl-6-sulfamoyl-benzoic acid tert-butyl ester Formula: C19H23IN2O4S MolecularWeight: 502.36639

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C(=C1I)N)C(=O)OC(C)(C)C)S(=O)(=O)N)C2=CC=CC=C2

Isomeric SMILES

CCC1=C(C(=C(C(=C1I)N)C(=O)OC(C)(C)C)S(=O)(=O)N)C2=CC=CC=C2

InChI

InChI=1S/C19H23IN2O4S/c1-5-12-13(11-9-7-6-8-10-11)17(27(22,24)25)14(16(21)15(12)20)18(23)26-19(2,3)4/h6-10H,5,21H2,1-4H3,(H2,22,24,25)