(3-nitrophenyl)methyl 2-bromanyl-5-(propan-2-ylsulfamoyl)benzoate

Systemtic Name: (3-nitrophenyl)methyl 2-bromanyl-5-(propan-2-ylsulfamoyl)benzoate Openeye Name: (3-nitrophenyl)methyl 2-bromo-5-(isopropylsulfamoyl)benzoate CAS Name: 2-bromo-5-(propan-2-ylsulfamoyl)benzoic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 2-bromo-5-(propan-2-ylsulfamoyl)benzoate Traditional Name: 2-bromo-5-(isopropylsulfamoyl)benzoic acid (3-nitrobenzyl) ester Formula: C17H17BrN2O6S MolecularWeight: 457.29568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)OCC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)OCC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H17BrN2O6S/c1-11(2)19-27(24,25)14-6-7-16(18)15(9-14)17(21)26-10-12-4-3-5-13(8-12)20(22)23/h3-9,11,19H,10H2,1-2H3