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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrF3N2O6S/c1-9(2)6-11(15(24)27-3)22-14(23)8-21-29(25,26)13-5-4-10(17)7-12(13)28-16(18,19)20/h4-5,7,9,11,21H,6,8H2,1-3H3,(H,22,23)