methyl 2-[2-[[4-bromanyl-2-(trifluoromethyloxy)phenyl]sulfonylamino]ethanoylamino]hexanoate

Systemtic Name: methyl 2-[2-[[4-bromanyl-2-(trifluoromethyloxy)phenyl]sulfonylamino]ethanoylamino]hexanoate Openeye Name: methyl 2-[[2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]acetyl]amino]hexanoate CAS Name: 2-[[2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-1-oxoethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 2-[[2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]acetyl]amino]hexanoate Traditional Name: 2-[[2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]acetyl]amino]hexanoic acid methyl ester Formula: C16H20BrF3N2O6S MolecularWeight: 505.30401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC)NC(=O)CNS(=O)(=O)C1=C(C=C(C=C1)Br)OC(F)(F)F

Isomeric SMILES

CCCCC(C(=O)OC)NC(=O)CNS(=O)(=O)C1=C(C=C(C=C1)Br)OC(F)(F)F

InChI

InChI=1S/C16H20BrF3N2O6S/c1-3-4-5-11(15(24)27-2)22-14(23)9-21-29(25,26)13-7-6-10(17)8-12(13)28-16(18,19)20/h6-8,11,21H,3-5,9H2,1-2H3,(H,22,23)