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

Systemtic Name: methyl 2-[2-[(4-bromanyl-2-ethyl-phenyl)sulfonylamino]ethanoylamino]hexanoate Openeye Name: methyl 2-[[2-[(4-bromo-2-ethyl-phenyl)sulfonylamino]acetyl]amino]hexanoate CAS Name: 2-[[2-[(4-bromo-2-ethylphenyl)sulfonylamino]-1-oxoethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-bromo-2-ethylphenyl)sulfonylamino]acetyl]amino]hexanoate Traditional Name: 2-[[2-[(4-bromo-2-ethyl-phenyl)sulfonylamino]acetyl]amino]hexanoic acid methyl ester Formula: C17H25BrN2O5S MolecularWeight: 449.3598

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C17H25BrN2O5S/c1-4-6-7-14(17(22)25-3)20-16(21)11-19-26(23,24)15-9-8-13(18)10-12(15)5-2/h8-10,14,19H,4-7,11H2,1-3H3,(H,20,21)