2-(5-bromanyl-1-benzofuran-2-yl)ethyl 2-[(4-ethanoylphenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: 2-(5-bromanyl-1-benzofuran-2-yl)ethyl 2-[(4-ethanoylphenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: 2-(5-bromobenzofuran-2-yl)ethyl 2-[(4-acetylphenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-acetylphenyl)sulfonyl-methylamino]acetic acid 2-(5-bromo-2-benzofuranyl)ethyl ester IUPAC Name: 2-(5-bromo-1-benzofuran-2-yl)ethyl 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-acetylphenyl)sulfonyl-methyl-amino]acetic acid 2-(5-bromobenzofuran-2-yl)ethyl ester Formula: C21H20BrNO6S MolecularWeight: 494.3556

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCCC2=CC3=C(O2)C=CC(=C3)Br

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCCC2=CC3=C(O2)C=CC(=C3)Br

InChI

InChI=1S/C21H20BrNO6S/c1-14(24)15-3-6-19(7-4-15)30(26,27)23(2)13-21(25)28-10-9-18-12-16-11-17(22)5-8-20(16)29-18/h3-8,11-12H,9-10,13H2,1-2H3