methyl 2-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: methyl 2-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 3-benzylsulfanyl-2-[(5-bromo-2-methoxy-phenyl)sulfonylamino]propanoate CAS Name: 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 3-benzylsulfanyl-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]propanoate Traditional Name: 3-(benzylthio)-2-[(5-bromo-2-methoxy-phenyl)sulfonylamino]propionic acid methyl ester Formula: C18H20BrNO5S2 MolecularWeight: 474.3891

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)S(=O)(=O)NC(CSCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Br)S(=O)(=O)NC(CSCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C18H20BrNO5S2/c1-24-16-9-8-14(19)10-17(16)27(22,23)20-15(18(21)25-2)12-26-11-13-6-4-3-5-7-13/h3-10,15,20H,11-12H2,1-2H3