methyl 3-[(4-bromanyl-2-ethyl-phenyl)sulfonylamino]propanoate

Systemtic Name: methyl 3-[(4-bromanyl-2-ethyl-phenyl)sulfonylamino]propanoate Openeye Name: methyl 3-[(4-bromo-2-ethyl-phenyl)sulfonylamino]propanoate CAS Name: 3-[(4-bromo-2-ethylphenyl)sulfonylamino]propanoic acid methyl ester IUPAC Name: methyl 3-[(4-bromo-2-ethylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-bromo-2-ethyl-phenyl)sulfonylamino]propionic acid methyl ester Formula: C12H16BrNO4S MolecularWeight: 350.22874

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)S(=O)(=O)NCCC(=O)OC

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)S(=O)(=O)NCCC(=O)OC

InChI

InChI=1S/C12H16BrNO4S/c1-3-9-8-10(13)4-5-11(9)19(16,17)14-7-6-12(15)18-2/h4-5,8,14H,3,6-7H2,1-2H3