methyl 4-[(2-bromanyl-4,5-dimethoxy-phenyl)sulfonylamino]butanoate

Systemtic Name: methyl 4-[(2-bromanyl-4,5-dimethoxy-phenyl)sulfonylamino]butanoate Openeye Name: methyl 4-[(2-bromo-4,5-dimethoxy-phenyl)sulfonylamino]butanoate CAS Name: 4-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]butanoic acid methyl ester IUPAC Name: methyl 4-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]butanoate Traditional Name: 4-[(2-bromo-4,5-dimethoxy-phenyl)sulfonylamino]butyric acid methyl ester Formula: C13H18BrNO6S MolecularWeight: 396.25412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1OC)Br)S(=O)(=O)NCCCC(=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1OC)Br)S(=O)(=O)NCCCC(=O)OC

InChI

InChI=1S/C13H18BrNO6S/c1-19-10-7-9(14)12(8-11(10)20-2)22(17,18)15-6-4-5-13(16)21-3/h7-8,15H,4-6H2,1-3H3