methyl 2-[(5-bromanyl-6-chloranyl-pyridin-3-yl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: methyl 2-[(5-bromanyl-6-chloranyl-pyridin-3-yl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 3-benzylsulfanyl-2-[(5-bromo-6-chloro-3-pyridyl)sulfonylamino]propanoate CAS Name: 2-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 3-benzylsulfanyl-2-[(5-bromo-6-chloropyridin-3-yl)sulfonylamino]propanoate Traditional Name: 3-(benzylthio)-2-[(5-bromo-6-chloro-3-pyridyl)sulfonylamino]propionic acid methyl ester Formula: C16H16BrClN2O4S2 MolecularWeight: 479.79624

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=CC(=C(N=C2)Cl)Br

Isomeric SMILES

COC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=CC(=C(N=C2)Cl)Br

InChI

InChI=1S/C16H16BrClN2O4S2/c1-24-16(21)14(10-25-9-11-5-3-2-4-6-11)20-26(22,23)12-7-13(17)15(18)19-8-12/h2-8,14,20H,9-10H2,1H3