(2-bromanyl-4-fluoranyl-phenyl)methyl 2-[(4-ethanoylphenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: (2-bromanyl-4-fluoranyl-phenyl)methyl 2-[(4-ethanoylphenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: (2-bromo-4-fluoro-phenyl)methyl 2-[(4-acetylphenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-acetylphenyl)sulfonyl-methylamino]acetic acid (2-bromo-4-fluorophenyl)methyl ester IUPAC Name: (2-bromo-4-fluorophenyl)methyl 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-acetylphenyl)sulfonyl-methyl-amino]acetic acid (2-bromo-4-fluoro-benzyl) ester Formula: C18H17BrFNO5S MolecularWeight: 458.298683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrFNO5S/c1-12(22)13-4-7-16(8-5-13)27(24,25)21(2)10-18(23)26-11-14-3-6-15(20)9-17(14)19/h3-9H,10-11H2,1-2H3