methyl 3-[(5-bromanyl-2-methoxy-phenyl)sulfonyl-ethyl-amino]propanoate

Systemtic Name: methyl 3-[(5-bromanyl-2-methoxy-phenyl)sulfonyl-ethyl-amino]propanoate Openeye Name: methyl 3-[(5-bromo-2-methoxy-phenyl)sulfonyl-ethyl-amino]propanoate CAS Name: 3-[(5-bromo-2-methoxyphenyl)sulfonyl-ethylamino]propanoic acid methyl ester IUPAC Name: methyl 3-[(5-bromo-2-methoxyphenyl)sulfonyl-ethylamino]propanoate Traditional Name: 3-[(5-bromo-2-methoxy-phenyl)sulfonyl-ethyl-amino]propionic acid methyl ester Formula: C13H18BrNO5S MolecularWeight: 380.25472

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)OC)S(=O)(=O)C1=C(C=CC(=C1)Br)OC

Isomeric SMILES

CCN(CCC(=O)OC)S(=O)(=O)C1=C(C=CC(=C1)Br)OC

InChI

InChI=1S/C13H18BrNO5S/c1-4-15(8-7-13(16)20-3)21(17,18)12-9-10(14)5-6-11(12)19-2/h5-6,9H,4,7-8H2,1-3H3