methyl (2S)-2-[2-[(4-bromophenyl)sulfonylamino]ethanoylamino]-2-phenyl-ethanoate

Systemtic Name: methyl (2S)-2-[2-[(4-bromophenyl)sulfonylamino]ethanoylamino]-2-phenyl-ethanoate Openeye Name: methyl (2S)-2-[[2-[(4-bromophenyl)sulfonylamino]acetyl]amino]-2-phenyl-acetate CAS Name: (2S)-2-[[2-[(4-bromophenyl)sulfonylamino]-1-oxoethyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[(4-bromophenyl)sulfonylamino]acetyl]amino]-2-phenylacetate Traditional Name: (2S)-2-[[2-(brosylamino)acetyl]amino]-2-phenyl-acetic acid methyl ester Formula: C17H17BrN2O5S MolecularWeight: 441.29628

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)NC(=O)CNS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)[C@H](C1=CC=CC=C1)NC(=O)CNS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H17BrN2O5S/c1-25-17(22)16(12-5-3-2-4-6-12)20-15(21)11-19-26(23,24)14-9-7-13(18)8-10-14/h2-10,16,19H,11H2,1H3,(H,20,21)/t16-/m0/s1