(4-bromanyl-2-fluoranyl-phenyl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]ethanoate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]ethanoate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate CAS Name: 2-[(3,4-dimethylphenyl)sulfonylamino]acetic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate Traditional Name: 2-[(3,4-dimethylphenyl)sulfonylamino]acetic acid (4-bromo-2-fluoro-benzyl) ester Formula: C17H17BrFNO4S MolecularWeight: 430.288583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=C(C=C(C=C2)Br)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=C(C=C(C=C2)Br)F)C

InChI

InChI=1S/C17H17BrFNO4S/c1-11-3-6-15(7-12(11)2)25(22,23)20-9-17(21)24-10-13-4-5-14(18)8-16(13)19/h3-8,20H,9-10H2,1-2H3