(4-bromanyl-2-fluoranyl-phenyl)methyl 2-[(4-acetamidophenyl)sulfonylamino]ethanoate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 2-[(4-acetamidophenyl)sulfonylamino]ethanoate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 2-[(4-acetamidophenyl)sulfonylamino]acetate CAS Name: 2-[(4-acetamidophenyl)sulfonylamino]acetic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 2-[(4-acetamidophenyl)sulfonylamino]acetate Traditional Name: 2-[(4-acetamidophenyl)sulfonylamino]acetic acid (4-bromo-2-fluoro-benzyl) ester Formula: C17H16BrFN2O5S MolecularWeight: 459.286743

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C17H16BrFN2O5S/c1-11(22)21-14-4-6-15(7-5-14)27(24,25)20-9-17(23)26-10-12-2-3-13(18)8-16(12)19/h2-8,20H,9-10H2,1H3,(H,21,22)